N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C19H19N5 — CID 50961051

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NCc2cnc3c(c2)CCC3)nc(-c2cccnc2)n1
InChIInChI=1S/C19H19N5/c1-13-8-18(24-19(23-13)16-5-3-7-20-12-16)22-11-14-9-15-4-2-6-17(15)21-10-14/h3,5,7-10,12H,2,4,6,11H2,1H3,(H,22,23,24)
InChIKeySXJNTWQETDRMFV-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.34
Rot. Bonds4

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 50961051) 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-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID50961051
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NCc2cnc3c(c2)CCC3)nc(-c2cccnc2)n1
InChIInChI=1S/C19H19N5/c1-13-8-18(24-19(23-13)16-5-3-7-20-12-16)22-11-14-9-15-4-2-6-17(15)21-10-14/h3,5,7-10,12H,2,4,6,11H2,1H3,(H,22,23,24)
InChIKeySXJNTWQETDRMFV-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-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 50961051) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(NCc2cnc3c(c2)CCC3)nc(-c2cccnc2)n1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is SXJNTWQETDRMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-8-18(24-19(23-13)16-5-3-7-20-12-16)22-11-14-9-15-4-2-6-17(15)21-10-14/h3,5,7-10,12H,2,4,6,11H2,1H3,(H,22,23,24).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-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-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 50961051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).