N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

C18H19N7 — CID 110259040

IUPACN-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1nccc(N2CCCC2c2ccnc(Nc3ncccn3)c2)n1
InChIInChI=1S/C18H19N7/c1-13-19-10-6-17(23-13)25-11-2-4-15(25)14-5-9-20-16(12-14)24-18-21-7-3-8-22-18/h3,5-10,12,15H,2,4,11H2,1H3,(H,20,21,22,24)
InChIKeyLLSAWRZUWLWDDV-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.06
Rot. Bonds4

About N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110259040) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID110259040
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1nccc(N2CCCC2c2ccnc(Nc3ncccn3)c2)n1
InChIInChI=1S/C18H19N7/c1-13-19-10-6-17(23-13)25-11-2-4-15(25)14-5-9-20-16(12-14)24-18-21-7-3-8-22-18/h3,5-10,12,15H,2,4,11H2,1H3,(H,20,21,22,24)
InChIKeyLLSAWRZUWLWDDV-UHFFFAOYSA-N
XLogP3.06
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 110259040) is N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is Cc1nccc(N2CCCC2c2ccnc(Nc3ncccn3)c2)n1.
What is the InChIKey of N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is LLSAWRZUWLWDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-13-19-10-6-17(23-13)25-11-2-4-15(25)14-5-9-20-16(12-14)24-18-21-7-3-8-22-18/h3,5-10,12,15H,2,4,11H2,1H3,(H,20,21,22,24).
What are the key properties of N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 333.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110259040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).