N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine

C12H19N3O — CID 112637950

IUPACN-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2CCC(C)C2C)n1
InChIInChI=1S/C12H19N3O/c1-8-4-5-10(9(8)2)14-12-13-7-6-11(15-12)16-3/h6-10H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyUMTPSISOXDHJRI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.33
Rot. Bonds3

About N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine

N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine (PubChem CID 112637950) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
PubChem CID112637950
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2CCC(C)C2C)n1
InChIInChI=1S/C12H19N3O/c1-8-4-5-10(9(8)2)14-12-13-7-6-11(15-12)16-3/h6-10H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyUMTPSISOXDHJRI-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine (CID 112637950) is N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine is COc1ccnc(NC2CCC(C)C2C)n1.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine?
The InChIKey is UMTPSISOXDHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-5-10(9(8)2)14-12-13-7-6-11(15-12)16-3/h6-10H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine?
N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 112637950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).