N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine

C17H22N6 — CID 110271704

IUPACN-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine
SMILESCc1nc(NC2CCCC2)cc(C2CCN2c2ncccn2)n1
InChIInChI=1S/C17H22N6/c1-12-20-14(11-16(21-12)22-13-5-2-3-6-13)15-7-10-23(15)17-18-8-4-9-19-17/h4,8-9,11,13,15H,2-3,5-7,10H2,1H3,(H,20,21,22)
InChIKeyNVHUJWJLHIWGDO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.88
Rot. Bonds4

About N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine

N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine (PubChem CID 110271704) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine
PubChem CID110271704
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC NameN-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine
SMILESCc1nc(NC2CCCC2)cc(C2CCN2c2ncccn2)n1
InChIInChI=1S/C17H22N6/c1-12-20-14(11-16(21-12)22-13-5-2-3-6-13)15-7-10-23(15)17-18-8-4-9-19-17/h4,8-9,11,13,15H,2-3,5-7,10H2,1H3,(H,20,21,22)
InChIKeyNVHUJWJLHIWGDO-UHFFFAOYSA-N
XLogP2.88
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine (CID 110271704) is N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine is Cc1nc(NC2CCCC2)cc(C2CCN2c2ncccn2)n1.
What is the InChIKey of N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine?
The InChIKey is NVHUJWJLHIWGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-12-20-14(11-16(21-12)22-13-5-2-3-6-13)15-7-10-23(15)17-18-8-4-9-19-17/h4,8-9,11,13,15H,2-3,5-7,10H2,1H3,(H,20,21,22).
What are the key properties of N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine?
N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 110271704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).