[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol

C14H23N3O — CID 83184195

IUPAC[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N(C)CC2CCCCC2)ncc1CO
InChIInChI=1S/C14H23N3O/c1-11-13(10-18)8-15-14(16-11)17(2)9-12-6-4-3-5-7-12/h8,12,18H,3-7,9-10H2,1-2H3
InChIKeyTYAMIFUWAHGIPT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.29
Rot. Bonds4

About [2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol

[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184195) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
PubChem CID83184195
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N(C)CC2CCCCC2)ncc1CO
InChIInChI=1S/C14H23N3O/c1-11-13(10-18)8-15-14(16-11)17(2)9-12-6-4-3-5-7-12/h8,12,18H,3-7,9-10H2,1-2H3
InChIKeyTYAMIFUWAHGIPT-UHFFFAOYSA-N
XLogP2.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol (CID 83184195) is [2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol is Cc1nc(N(C)CC2CCCCC2)ncc1CO.
What is the InChIKey of [2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol?
The InChIKey is TYAMIFUWAHGIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-13(10-18)8-15-14(16-11)17(2)9-12-6-4-3-5-7-12/h8,12,18H,3-7,9-10H2,1-2H3.
What are the key properties of [2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol?
[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).