N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine

C19H19N5 — CID 154870329

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(NCc2ccc3c(n2)CCC3)cc(-c2ccccn2)n1
InChIInChI=1S/C19H19N5/c1-13-22-18(17-6-2-3-10-20-17)11-19(23-13)21-12-15-9-8-14-5-4-7-16(14)24-15/h2-3,6,8-11H,4-5,7,12H2,1H3,(H,21,22,23)
InChIKeyJKERKGBVPWTAIG-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.34
Rot. Bonds4

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 154870329) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
PubChem CID154870329
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(NCc2ccc3c(n2)CCC3)cc(-c2ccccn2)n1
InChIInChI=1S/C19H19N5/c1-13-22-18(17-6-2-3-10-20-17)11-19(23-13)21-12-15-9-8-14-5-4-7-16(14)24-15/h2-3,6,8-11H,4-5,7,12H2,1H3,(H,21,22,23)
InChIKeyJKERKGBVPWTAIG-UHFFFAOYSA-N
XLogP3.34
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine (CID 154870329) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine is Cc1nc(NCc2ccc3c(n2)CCC3)cc(-c2ccccn2)n1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is JKERKGBVPWTAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-22-18(17-6-2-3-10-20-17)11-19(23-13)21-12-15-9-8-14-5-4-7-16(14)24-15/h2-3,6,8-11H,4-5,7,12H2,1H3,(H,21,22,23).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 154870329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).