N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine

C12H19N3O2 — CID 113488860

IUPACN-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCCC1(Nc2nc(OC)cc(OC)n2)CCC1
InChIInChI=1S/C12H19N3O2/c1-4-12(6-5-7-12)15-11-13-9(16-2)8-10(14-11)17-3/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyRXETYCZJEWJXRZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.24
Rot. Bonds5

About N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine

N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 113488860) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID113488860
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCCC1(Nc2nc(OC)cc(OC)n2)CCC1
InChIInChI=1S/C12H19N3O2/c1-4-12(6-5-7-12)15-11-13-9(16-2)8-10(14-11)17-3/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyRXETYCZJEWJXRZ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
CID 114119677
[1-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 112637527
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 114125759
4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 115355130
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115355172
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112635634
N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 114108518
N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide
CID 107625898
4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid
CID 154909057
[1-[(4,6-dimethylpyrimidin-2-yl)amino]cyclobutyl]methanol
CID 115774262
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 115355171

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine (CID 113488860) is N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine is CCC1(Nc2nc(OC)cc(OC)n2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is RXETYCZJEWJXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-12(6-5-7-12)15-11-13-9(16-2)8-10(14-11)17-3/h8H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine?
N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 237.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 113488860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).