N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine

C20H27N5 — CID 95222261

IUPACN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1ccnc([C@@H](Nc2cc(C3CCNCC3)nc(C)n2)C2CC2)c1
InChIInChI=1S/C20H27N5/c1-13-5-10-22-18(11-13)20(16-3-4-16)25-19-12-17(23-14(2)24-19)15-6-8-21-9-7-15/h5,10-12,15-16,20-21H,3-4,6-9H2,1-2H3,(H,23,24,25)/t20-/m0/s1
InChIKeyOMOKLJDSEYENSE-FQEVSTJZSA-N
MW337.47 g/mol
LogP3.52
Rot. Bonds5

About N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine

N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 95222261) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID95222261
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1ccnc([C@@H](Nc2cc(C3CCNCC3)nc(C)n2)C2CC2)c1
InChIInChI=1S/C20H27N5/c1-13-5-10-22-18(11-13)20(16-3-4-16)25-19-12-17(23-14(2)24-19)15-6-8-21-9-7-15/h5,10-12,15-16,20-21H,3-4,6-9H2,1-2H3,(H,23,24,25)/t20-/m0/s1
InChIKeyOMOKLJDSEYENSE-FQEVSTJZSA-N
XLogP3.52
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-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

(2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide
CID 56712466
2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine
CID 86342169
2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine
CID 95846708
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95862380
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
CID 110095196
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
CID 56705332
1-cyclohexyl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63839255
1-cycloheptyl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 82932487
ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide
CID 125436602
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
CID 95554873
2-[chloro(cyclopropyl)methyl]-4-methylpyridine
CID 18799565

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine (CID 95222261) is N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine is Cc1ccnc([C@@H](Nc2cc(C3CCNCC3)nc(C)n2)C2CC2)c1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is OMOKLJDSEYENSE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N5/c1-13-5-10-22-18(11-13)20(16-3-4-16)25-19-12-17(23-14(2)24-19)15-6-8-21-9-7-15/h5,10-12,15-16,20-21H,3-4,6-9H2,1-2H3,(H,23,24,25)/t20-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 95222261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).