1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol

C15H25N3O3 — CID 65117893

IUPAC1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCOc1ncnc(OC)c1CNCC1(O)CCC(C)CC1
InChIInChI=1S/C15H25N3O3/c1-11-4-6-15(19,7-5-11)9-16-8-12-13(20-2)17-10-18-14(12)21-3/h10-11,16,19H,4-9H2,1-3H3
InChIKeyUAGVTEPKZJFLSN-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.52
Rot. Bonds6

About 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol

1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65117893) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65117893
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCOc1ncnc(OC)c1CNCC1(O)CCC(C)CC1
InChIInChI=1S/C15H25N3O3/c1-11-4-6-15(19,7-5-11)9-16-8-12-13(20-2)17-10-18-14(12)21-3/h10-11,16,19H,4-9H2,1-3H3
InChIKeyUAGVTEPKZJFLSN-UHFFFAOYSA-N
XLogP1.52
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol (CID 65117893) is 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol is COc1ncnc(OC)c1CNCC1(O)CCC(C)CC1.
What is the InChIKey of 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is UAGVTEPKZJFLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-4-6-15(19,7-5-11)9-16-8-12-13(20-2)17-10-18-14(12)21-3/h10-11,16,19H,4-9H2,1-3H3.
What are the key properties of 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol?
1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 295.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65117893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).