2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C20H23F3N6O2 — CID 155682140

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@@H](N)C2)nc1Nc1cc(C(F)(F)F)cc(C2(O)CC2)c1
InChIInChI=1S/C20H23F3N6O2/c21-20(22,23)12-6-11(19(31)3-4-19)7-14(8-12)27-17-15(16(25)30)9-26-18(28-17)29-5-1-2-13(24)10-29/h6-9,13,31H,1-5,10,24H2,(H2,25,30)(H,26,27,28)/t13-/m1/s1
InChIKeyPVPUMAZJKYZXSN-CYBMUJFWSA-N
MW436.44 g/mol
LogP2.25
Rot. Bonds5

About 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 155682140) has the molecular formula C20H23F3N6O2 and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID155682140
Molecular FormulaC20H23F3N6O2
Molecular Weight436.44 g/mol
Exact Mass436.18
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@@H](N)C2)nc1Nc1cc(C(F)(F)F)cc(C2(O)CC2)c1
InChIInChI=1S/C20H23F3N6O2/c21-20(22,23)12-6-11(19(31)3-4-19)7-14(8-12)27-17-15(16(25)30)9-26-18(28-17)29-5-1-2-13(24)10-29/h6-9,13,31H,1-5,10,24H2,(H2,25,30)(H,26,27,28)/t13-/m1/s1
InChIKeyPVPUMAZJKYZXSN-CYBMUJFWSA-N
XLogP2.25
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide
CID 56673153
1-[3-(2-Hydroxypropan-2-yl)phenyl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
CID 24856612
2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-ditert-butylanilino)pyrimidine-5-carboxamide
CID 155682195
2-(3-Aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 76392271
1-[3-[[2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 156010754
2-[(3S)-3-aminopiperidin-1-yl]-4-[3,5-bis(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 156013332
2-[(3S)-3-aminopiperidin-1-yl]-4-[3,5-di(propan-2-yl)anilino]pyrimidine-5-carboxamide
CID 156014331
US11530193, Example 112
CID 152048709
US11530193, Example 114
CID 155682135
US11530193, Example 111
CID 155682157
US11530193, Example 89
CID 155682224
US11530193, Example 95
CID 155682245

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 155682140) is 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(N2CCC[C@@H](N)C2)nc1Nc1cc(C(F)(F)F)cc(C2(O)CC2)c1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is PVPUMAZJKYZXSN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23F3N6O2/c21-20(22,23)12-6-11(19(31)3-4-19)7-14(8-12)27-17-15(16(25)30)9-26-18(28-17)29-5-1-2-13(24)10-29/h6-9,13,31H,1-5,10,24H2,(H2,25,30)(H,26,27,28)/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-4-[3-(1-hydroxycyclopropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155682140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).