4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine

C13H21N3O2 — CID 115355130

IUPAC4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC2(C)CCCC2)n1
InChIInChI=1S/C13H21N3O2/c1-13(6-4-5-7-13)9-14-12-15-10(17-2)8-11(16-12)18-3/h8H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyICBLRYFDORNDGP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.49
Rot. Bonds5

About 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine

4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine (PubChem CID 115355130) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
PubChem CID115355130
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC2(C)CCCC2)n1
InChIInChI=1S/C13H21N3O2/c1-13(6-4-5-7-13)9-14-12-15-10(17-2)8-11(16-12)18-3/h8H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyICBLRYFDORNDGP-UHFFFAOYSA-N
XLogP2.49
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115355172
4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
CID 114119677
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]pyrimidin-2-amine
CID 103736984
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 114125759
6-methoxy-2-N-[(1-methylcyclopentyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80846170
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 115355176
N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 63822155
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid
CID 154909057
6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 55259668
N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine
CID 113488860
N-[(1-methylcyclobutyl)methyl]pyrimidin-2-amine
CID 103736890

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine (CID 115355130) is 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine is COc1cc(OC)nc(NCC2(C)CCCC2)n1.
What is the InChIKey of 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine?
The InChIKey is ICBLRYFDORNDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(6-4-5-7-13)9-14-12-15-10(17-2)8-11(16-12)18-3/h8H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 115355130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).