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

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Related Compounds

N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine
CID 124949904
2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 95820566
N-methyl-4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyridin-2-amine
CID 110105580
N-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 127245198
N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124954569
2-methyl-6-(1-methylpyrrolidin-2-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269635
2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine
CID 95842576
[(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125002330
2-methyl-N-(3-methyl-2-pyridinyl)-6-[1-(2-methylpyrimidin-4-yl)azetidin-2-yl]pyrimidin-4-amine
CID 110270296
2-methyl-4-(1-phenylpyrrolidin-2-yl)pyridine
CID 138975238
2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
CID 110104269
N-[4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111774

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).