3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C12H19N3O2 — CID 104917710

IUPAC3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1cc(NCC2CCCC(O)C2)ncn1
InChIInChI=1S/C12H19N3O2/c1-17-12-6-11(14-8-15-12)13-7-9-3-2-4-10(16)5-9/h6,8-10,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyNINVGGQINJWCQQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.45
Rot. Bonds4

About 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 104917710) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID104917710
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1cc(NCC2CCCC(O)C2)ncn1
InChIInChI=1S/C12H19N3O2/c1-17-12-6-11(14-8-15-12)13-7-9-3-2-4-10(16)5-9/h6,8-10,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyNINVGGQINJWCQQ-UHFFFAOYSA-N
XLogP1.45
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407
3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66331001
[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66325187
N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
CID 106128479
3-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137975
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569768
3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol
CID 106120053
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 104917710) is 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is COc1cc(NCC2CCCC(O)C2)ncn1.
What is the InChIKey of 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is NINVGGQINJWCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-12-6-11(14-8-15-12)13-7-9-3-2-4-10(16)5-9/h6,8-10,16H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 104917710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).