N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine

C12H19N3O2 — CID 113278339

IUPACN-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC2CCCC2)n1
InChIInChI=1S/C12H19N3O2/c1-16-10-7-11(17-2)15-12(14-10)13-8-9-5-3-4-6-9/h7,9H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyIMGJEFQEKJZROJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.10
Rot. Bonds5

About N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine

N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 113278339) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID113278339
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC2CCCC2)n1
InChIInChI=1S/C12H19N3O2/c1-16-10-7-11(17-2)15-12(14-10)13-8-9-5-3-4-6-9/h7,9H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyIMGJEFQEKJZROJ-UHFFFAOYSA-N
XLogP2.10
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 115355062
N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113293077
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 115355065
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
2-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115354770
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
4,6-dimethoxy-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyrimidin-2-amine
CID 72838583
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691744
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine (CID 113278339) is N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NCC2CCCC2)n1.
What is the InChIKey of N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is IMGJEFQEKJZROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-10-7-11(17-2)15-12(14-10)13-8-9-5-3-4-6-9/h7,9H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine?
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 237.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 113278339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).