2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol

C12H19N3O2 — CID 66326095

IUPAC2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCOc1cc(NC2CCCCC2O)nc(C)n1
InChIInChI=1S/C12H19N3O2/c1-8-13-11(7-12(14-8)17-2)15-9-5-3-4-6-10(9)16/h7,9-10,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYQBYMBNFWSFWBW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.51
Rot. Bonds3

About 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol

2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 66326095) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID66326095
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCOc1cc(NC2CCCCC2O)nc(C)n1
InChIInChI=1S/C12H19N3O2/c1-8-13-11(7-12(14-8)17-2)15-9-5-3-4-6-10(9)16/h7,9-10,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYQBYMBNFWSFWBW-UHFFFAOYSA-N
XLogP1.51
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 66326095) is 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol is COc1cc(NC2CCCCC2O)nc(C)n1.
What is the InChIKey of 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is YQBYMBNFWSFWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-13-11(7-12(14-8)17-2)15-9-5-3-4-6-10(9)16/h7,9-10,16H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol?
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 66326095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).