N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine

C12H19N3O — CID 66326683

IUPACN-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NCC2CCC2)nc(C)n1
InChIInChI=1S/C12H19N3O/c1-3-16-12-7-11(14-9(2)15-12)13-8-10-5-4-6-10/h7,10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyRDATVFNSODBUQK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.40
Rot. Bonds5

About N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine

N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine (PubChem CID 66326683) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
PubChem CID66326683
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NCC2CCC2)nc(C)n1
InChIInChI=1S/C12H19N3O/c1-3-16-12-7-11(14-9(2)15-12)13-8-10-5-4-6-10/h7,10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyRDATVFNSODBUQK-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419086
[2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66326317
N-[(4-ethylcyclohexyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324640
N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 115306618
N-(cyclobutylmethyl)-6-ethoxypyridin-2-amine
CID 63590749
N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66333544
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66327746
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate
CID 115266861
[6-(2-cyclobutylethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 106207928
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine (CID 66326683) is N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine is CCOc1cc(NCC2CCC2)nc(C)n1.
What is the InChIKey of N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
The InChIKey is RDATVFNSODBUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-16-12-7-11(14-9(2)15-12)13-8-10-5-4-6-10/h7,10H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66326683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).