N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine

C18H18N6 — CID 124949904

IUPACN-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine
SMILESc1ccc(Nc2cc([C@@H]3CCCN3c3ncccn3)ccn2)nc1
InChIInChI=1S/C18H18N6/c1-2-8-19-16(6-1)23-17-13-14(7-11-20-17)15-5-3-12-24(15)18-21-9-4-10-22-18/h1-2,4,6-11,13,15H,3,5,12H2,(H,19,20,23)/t15-/m0/s1
InChIKeyCXOONOCIFQHXEK-HNNXBMFYSA-N
MW318.38 g/mol
LogP3.35
Rot. Bonds4

About N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine

N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine (PubChem CID 124949904) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine
PubChem CID124949904
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC NameN-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine
SMILESc1ccc(Nc2cc([C@@H]3CCCN3c3ncccn3)ccn2)nc1
InChIInChI=1S/C18H18N6/c1-2-8-19-16(6-1)23-17-13-14(7-11-20-17)15-5-3-12-24(15)18-21-9-4-10-22-18/h1-2,4,6-11,13,15H,3,5,12H2,(H,19,20,23)/t15-/m0/s1
InChIKeyCXOONOCIFQHXEK-HNNXBMFYSA-N
XLogP3.35
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-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

N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110259040
N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
CID 124991618
7-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 124958467
N-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 127245198
6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 69107940
6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 15978940
2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 95820566
2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 110111589
2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine
CID 154749859
2-methyl-4-(1-phenylpyrrolidin-2-yl)pyridine
CID 138975238
N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124986346
N-methyl-4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyridin-2-amine
CID 110105580

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine (CID 124949904) is N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine is c1ccc(Nc2cc([C@@H]3CCCN3c3ncccn3)ccn2)nc1.
What is the InChIKey of N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is CXOONOCIFQHXEK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N6/c1-2-8-19-16(6-1)23-17-13-14(7-11-20-17)15-5-3-12-24(15)18-21-9-4-10-22-18/h1-2,4,6-11,13,15H,3,5,12H2,(H,19,20,23)/t15-/m0/s1.
What are the key properties of N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine?
N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 124949904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).