N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine

C12H19N3 — CID 79838962

IUPACN-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine
SMILESCc1nccc(NC2CCCC2(C)C)n1
InChIInChI=1S/C12H19N3/c1-9-13-8-6-11(14-9)15-10-5-4-7-12(10,2)3/h6,8,10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyOVQMPZBVBXDPSF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.78
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine

N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine (PubChem CID 79838962) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine
PubChem CID79838962
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine
SMILESCc1nccc(NC2CCCC2(C)C)n1
InChIInChI=1S/C12H19N3/c1-9-13-8-6-11(14-9)15-10-5-4-7-12(10,2)3/h6,8,10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyOVQMPZBVBXDPSF-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine (CID 79838962) is N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine is Cc1nccc(NC2CCCC2(C)C)n1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine?
The InChIKey is OVQMPZBVBXDPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-13-8-6-11(14-9)15-10-5-4-7-12(10,2)3/h6,8,10H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine?
N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 79838962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).