3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C13H22N4O — CID 106138429

IUPAC3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1cc(NCC2CCCC(O)C2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-9-16-12(14-2)7-13(17-9)15-8-10-4-3-5-11(18)6-10/h7,10-11,18H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyQOENWPFZLXQFLX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.79
Rot. Bonds4

About 3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 106138429) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID106138429
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1cc(NCC2CCCC(O)C2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-9-16-12(14-2)7-13(17-9)15-8-10-4-3-5-11(18)6-10/h7,10-11,18H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyQOENWPFZLXQFLX-UHFFFAOYSA-N
XLogP1.79
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 106138429) is 3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CNc1cc(NCC2CCCC(O)C2)nc(C)n1.
What is the InChIKey of 3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is QOENWPFZLXQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-16-12(14-2)7-13(17-9)15-8-10-4-3-5-11(18)6-10/h7,10-11,18H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).