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

C12H19N3O3 — CID 114119677

IUPAC4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC2(OC)CCC2)n1
InChIInChI=1S/C12H19N3O3/c1-16-9-7-10(17-2)15-11(14-9)13-8-12(18-3)5-4-6-12/h7H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyUMOUYOOACYVIPM-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.47
Rot. Bonds6

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

4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine (PubChem CID 114119677) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
PubChem CID114119677
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC2(OC)CCC2)n1
InChIInChI=1S/C12H19N3O3/c1-16-9-7-10(17-2)15-11(14-9)13-8-12(18-3)5-4-6-12/h7H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyUMOUYOOACYVIPM-UHFFFAOYSA-N
XLogP1.47
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine
CID 133460018
4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid
CID 154909057
2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133460079
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 115355176
N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine
CID 113488860
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 114125759
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
6-ethoxy-N-[(1-methoxycyclobutyl)methyl]pyridin-2-amine
CID 114119681
2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine
CID 103989622
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine (CID 114119677) is 4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine is COc1cc(OC)nc(NCC2(OC)CCC2)n1.
What is the InChIKey of 4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine?
The InChIKey is UMOUYOOACYVIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-16-9-7-10(17-2)15-11(14-9)13-8-12(18-3)5-4-6-12/h7H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of 4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine has a molecular weight of 253.30 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 114119677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).