[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol

C14H24N4O — CID 80856232

IUPAC[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
SMILESCNc1cc(NCC2CCCCC2CO)nc(C)n1
InChIInChI=1S/C14H24N4O/c1-10-17-13(15-2)7-14(18-10)16-8-11-5-3-4-6-12(11)9-19/h7,11-12,19H,3-6,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyAHBPWKPEBGTVGR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds5

About [2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol

[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol (PubChem CID 80856232) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
PubChem CID80856232
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
SMILESCNc1cc(NCC2CCCCC2CO)nc(C)n1
InChIInChI=1S/C14H24N4O/c1-10-17-13(15-2)7-14(18-10)16-8-11-5-3-4-6-12(11)9-19/h7,11-12,19H,3-6,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyAHBPWKPEBGTVGR-UHFFFAOYSA-N
XLogP2.04
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol (CID 80856232) is [2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol is CNc1cc(NCC2CCCCC2CO)nc(C)n1.
What is the InChIKey of [2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The InChIKey is AHBPWKPEBGTVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-17-13(15-2)7-14(18-10)16-8-11-5-3-4-6-12(11)9-19/h7,11-12,19H,3-6,8-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of [2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol has a molecular weight of 264.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 80856232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).