1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol

C12H19N3O3 — CID 115355172

IUPAC1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCOc1cc(OC)nc(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H19N3O3/c1-17-9-7-10(18-2)15-11(14-9)13-8-12(16)5-3-4-6-12/h7,16H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyGXNQEFKAZCUPEA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.21
Rot. Bonds5

About 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol

1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 115355172) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID115355172
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCOc1cc(OC)nc(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H19N3O3/c1-17-9-7-10(18-2)15-11(14-9)13-8-12(16)5-3-4-6-12/h7,16H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyGXNQEFKAZCUPEA-UHFFFAOYSA-N
XLogP1.21
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 115355176
4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 115355130
4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
CID 114119677
1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 112637995
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842810
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80829131
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 114125759
4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid
CID 154909057
1-[(3,5-dimethoxyanilino)methyl]cycloheptan-1-ol
CID 60896943
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842897
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122534

Frequently Asked Questions

What is the IUPAC name of 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol (CID 115355172) is 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol is COc1cc(OC)nc(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is GXNQEFKAZCUPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-9-7-10(18-2)15-11(14-9)13-8-12(16)5-3-4-6-12/h7,16H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 253.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115355172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).