N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)

C20H23F6N5O5S — CID 155846616

IUPACN-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(NCC2CC2)nc(C2COCCN2Cc2nccs2)n1
InChIInChI=1S/C16H21N5OS.2C2HF3O2/c1-2-12(1)9-19-14-3-4-18-16(20-14)13-11-22-7-6-21(13)10-15-17-5-8-23-15;2*3-2(4,5)1(6)7/h3-5,8,12-13H,1-2,6-7,9-11H2,(H,18,19,20);2*(H,6,7)
InChIKeyYLEBHCYBPVDRQA-UHFFFAOYSA-N
MW559.49 g/mol
LogP3.60
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)

N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155846616) has the molecular formula C20H23F6N5O5S and a molecular weight of 559.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155846616
Molecular FormulaC20H23F6N5O5S
Molecular Weight559.49 g/mol
Exact Mass559.13
IUPAC NameN-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(NCC2CC2)nc(C2COCCN2Cc2nccs2)n1
InChIInChI=1S/C16H21N5OS.2C2HF3O2/c1-2-12(1)9-19-14-3-4-18-16(20-14)13-11-22-7-6-21(13)10-15-17-5-8-23-15;2*3-2(4,5)1(6)7/h3-5,8,12-13H,1-2,6-7,9-11H2,(H,18,19,20);2*(H,6,7)
InChIKeyYLEBHCYBPVDRQA-UHFFFAOYSA-N
XLogP3.60
TPSA137.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.49
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) 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

8-Pyrimidin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 118743928
N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132206736
(4aR,7aS)-4-pyrimidin-2-yl-6-(1,3-thiazol-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 155829068
N-cyclobutyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155831413
N-(cyclopropylmethyl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155834193
4-[(4-Methyl-1,3-thiazol-5-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155834371
N-(2-methoxyethyl)-2-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155839851
N-(2-methoxyethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840150
[3-[4-(Propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843330
N-pyrimidin-2-yl-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155845984
3-(4-Morpholin-4-ylpyrimidin-2-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155846860
N-(cyclopropylmethyl)-2-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155851177

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 155846616) is N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(NCC2CC2)nc(C2COCCN2Cc2nccs2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is YLEBHCYBPVDRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS.2C2HF3O2/c1-2-12(1)9-19-14-3-4-18-16(20-14)13-11-22-7-6-21(13)10-15-17-5-8-23-15;2*3-2(4,5)1(6)7/h3-5,8,12-13H,1-2,6-7,9-11H2,(H,18,19,20);2*(H,6,7).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 559.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155846616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).