[2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol

C13H21N3O — CID 113387837

IUPAC[2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol
SMILESCC1CCCC(N(C)c2ncc(CO)cn2)C1
InChIInChI=1S/C13H21N3O/c1-10-4-3-5-12(6-10)16(2)13-14-7-11(9-17)8-15-13/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyMXUSVWUVCTZHHF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.98
Rot. Bonds3

About [2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol

[2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol (PubChem CID 113387837) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol
PubChem CID113387837
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol
SMILESCC1CCCC(N(C)c2ncc(CO)cn2)C1
InChIInChI=1S/C13H21N3O/c1-10-4-3-5-12(6-10)16(2)13-14-7-11(9-17)8-15-13/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyMXUSVWUVCTZHHF-UHFFFAOYSA-N
XLogP1.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol?
The IUPAC name of [2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol (CID 113387837) is [2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol is CC1CCCC(N(C)c2ncc(CO)cn2)C1.
What is the InChIKey of [2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol?
The InChIKey is MXUSVWUVCTZHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-4-3-5-12(6-10)16(2)13-14-7-11(9-17)8-15-13/h7-8,10,12,17H,3-6,9H2,1-2H3.
What are the key properties of [2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol?
[2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol is sourced from PubChem (CID 113387837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).