ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

C61H83F3N18O4 — CID 144740205

IUPACethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCOCC3)n2)C1.Cc1ccnc(Nc2cc(C3CCCNC3)nc(N3CCOCC3)n2)c1.Cc1ccnc(Nc2cc(C3CCNCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H25F3N6O2.2C19H26N6O.C2H6/c1-2-19(31)30-6-4-14(13-30)16-12-18(28-20(26-16)29-7-9-32-10-8-29)27-17-11-15(3-5-25-17)21(22,23)24;1-14-2-7-21-17(12-14)23-18-13-16(15-3-5-20-6-4-15)22-19(24-18)25-8-10-26-11-9-25;1-14-4-6-21-17(11-14)23-18-12-16(15-3-2-5-20-13-15)22-19(24-18)25-7-9-26-10-8-25;1-2/h3,5,11-12,14H,2,4,6-10,13H2,1H3,(H,25,26,27,28);2,7,12-13,15,20H,3-6,8-11H2,1H3,(H,21,22,23,24);4,6,11-12,15,20H,2-3,5,7-10,13H2,1H3,(H,21,22,23,24);1-2H3
InChIKeyJFNDDLQDYODHFJ-UHFFFAOYSA-N
MW1189.45 g/mol
LogP8.68
Rot. Bonds13

About ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 144740205) has the molecular formula C61H83F3N18O4 and a molecular weight of 1189.45 g/mol. Its IUPAC name is ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID144740205
Molecular FormulaC61H83F3N18O4
Molecular Weight1189.45 g/mol
Exact Mass1188.68
IUPAC Nameethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCOCC3)n2)C1.Cc1ccnc(Nc2cc(C3CCCNC3)nc(N3CCOCC3)n2)c1.Cc1ccnc(Nc2cc(C3CCNCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H25F3N6O2.2C19H26N6O.C2H6/c1-2-19(31)30-6-4-14(13-30)16-12-18(28-20(26-16)29-7-9-32-10-8-29)27-17-11-15(3-5-25-17)21(22,23)24;1-14-2-7-21-17(12-14)23-18-13-16(15-3-5-20-6-4-15)22-19(24-18)25-8-10-26-11-9-25;1-14-4-6-21-17(11-14)23-18-12-16(15-3-2-5-20-13-15)22-19(24-18)25-7-9-26-10-8-25;1-2/h3,5,11-12,14H,2,4,6-10,13H2,1H3,(H,25,26,27,28);2,7,12-13,15,20H,3-6,8-11H2,1H3,(H,21,22,23,24);4,6,11-12,15,20H,2-3,5,7-10,13H2,1H3,(H,21,22,23,24);1-2H3
InChIKeyJFNDDLQDYODHFJ-UHFFFAOYSA-N
XLogP8.68
TPSA233.88 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.45
LogP ≤ 58.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)phenyl]urea
CID 44816122
1-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
CID 59507788
1-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one
CID 59507806
US9433622, Dmx-17
CID 78323833
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 78324544
1-[4-[2-Morpholin-4-yl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 117685483
1-[4-[2-(3,3-Difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 117685497
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121334420
4-(difluoromethyl)-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121334425
4-(Difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
CID 121334444
(4S)-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 145951582
N-(5-(2,6-dimorpholinopyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-yl)acetamide
CID 76286470

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one (CID 144740205) is ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one is CC.CCC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCOCC3)n2)C1.Cc1ccnc(Nc2cc(C3CCCNC3)nc(N3CCOCC3)n2)c1.Cc1ccnc(Nc2cc(C3CCNCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is JFNDDLQDYODHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O2.2C19H26N6O.C2H6/c1-2-19(31)30-6-4-14(13-30)16-12-18(28-20(26-16)29-7-9-32-10-8-29)27-17-11-15(3-5-25-17)21(22,23)24;1-14-2-7-21-17(12-14)23-18-13-16(15-3-5-20-6-4-15)22-19(24-18)25-8-10-26-11-9-25;1-14-4-6-21-17(11-14)23-18-12-16(15-3-2-5-20-13-15)22-19(24-18)25-7-9-26-10-8-25;1-2/h3,5,11-12,14H,2,4,6-10,13H2,1H3,(H,25,26,27,28);2,7,12-13,15,20H,3-6,8-11H2,1H3,(H,21,22,23,24);4,6,11-12,15,20H,2-3,5,7-10,13H2,1H3,(H,21,22,23,24);1-2H3.
What are the key properties of ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 1189.45 g/mol, XLogP of 8.68, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 144740205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).