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

C14H23N3O3 — CID 65107423

IUPAC1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ncnc(OC)c1CNCC1(O)CCCCC1
InChIInChI=1S/C14H23N3O3/c1-19-12-11(13(20-2)17-10-16-12)8-15-9-14(18)6-4-3-5-7-14/h10,15,18H,3-9H2,1-2H3
InChIKeyRPWZVACNWUNAAF-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.28
Rot. Bonds6

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

1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 65107423) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID65107423
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ncnc(OC)c1CNCC1(O)CCCCC1
InChIInChI=1S/C14H23N3O3/c1-19-12-11(13(20-2)17-10-16-12)8-15-9-14(18)6-4-3-5-7-14/h10,15,18H,3-9H2,1-2H3
InChIKeyRPWZVACNWUNAAF-UHFFFAOYSA-N
XLogP1.28
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.28
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]cyclohexan-1-ol?
The IUPAC name of 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol (CID 65107423) is 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol is COc1ncnc(OC)c1CNCC1(O)CCCCC1.
What is the InChIKey of 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is RPWZVACNWUNAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-19-12-11(13(20-2)17-10-16-12)8-15-9-14(18)6-4-3-5-7-14/h10,15,18H,3-9H2,1-2H3.
What are the key properties of 1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(4,6-dimethoxypyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 1.28, 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]cyclohexan-1-ol is sourced from PubChem (CID 65107423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).