5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

C20H25N5 — CID 162663968

IUPAC5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccc(C)cc12
InChIInChI=1S/C20H25N5/c1-3-14-10-23-20(24-15-5-4-8-21-11-15)25-19(14)17-12-22-18-7-6-13(2)9-16(17)18/h6-7,9-10,12,15,21-22H,3-5,8,11H2,1-2H3,(H,23,24,25)/t15-/m0/s1
InChIKeyWKOBYQUPHFBDOX-HNNXBMFYSA-N
MW335.46 g/mol
LogP3.66
Rot. Bonds4

About 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 162663968) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID162663968
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccc(C)cc12
InChIInChI=1S/C20H25N5/c1-3-14-10-23-20(24-15-5-4-8-21-11-15)25-19(14)17-12-22-18-7-6-13(2)9-16(17)18/h6-7,9-10,12,15,21-22H,3-5,8,11H2,1-2H3,(H,23,24,25)/t15-/m0/s1
InChIKeyWKOBYQUPHFBDOX-HNNXBMFYSA-N
XLogP3.66
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine 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

5-chloro-4-(5-methyl-1H-indol-3-yl)-N-[(1R,3S)-3-piperazin-1-ylcyclohexyl]pyrimidin-2-amine
CID 129292950
5-ethynyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 162667587
4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170710859
5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine
CID 162673234
3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 169098938
5-ethyl-4-(7-fluoro-2H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 145444200
N-[(3S)-piperidin-3-yl]-4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 145444159
1-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]pyrrolidin-2-one
CID 169428858
1-[3-[5-chloro-2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-1H-indol-7-yl]ethanone
CID 162662638
4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine
CID 177381336
5-methyl-3-piperidin-3-yl-1H-indole
CID 54857111
4-[6-(3H-benzimidazol-5-yl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 162664096

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 162663968) is 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccc(C)cc12.
What is the InChIKey of 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is WKOBYQUPHFBDOX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5/c1-3-14-10-23-20(24-15-5-4-8-21-11-15)25-19(14)17-12-22-18-7-6-13(2)9-16(17)18/h6-7,9-10,12,15,21-22H,3-5,8,11H2,1-2H3,(H,23,24,25)/t15-/m0/s1.
What are the key properties of 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 335.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 162663968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).