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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Related Compounds

3-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137975
[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856232
3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106137350
3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148540
methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate
CID 115266861
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66326326
3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106129708
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
CID 106136570

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).