4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C14H24N4O — CID 80842820

IUPAC4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1ncc(C)c(NCC2(O)CCC(C)CC2)n1
InChIInChI=1S/C14H24N4O/c1-10-4-6-14(19,7-5-10)9-17-12-11(2)8-16-13(15-3)18-12/h8,10,19H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyIPYTZRIITBYZBW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.18
Rot. Bonds4

About 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 80842820) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID80842820
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1ncc(C)c(NCC2(O)CCC(C)CC2)n1
InChIInChI=1S/C14H24N4O/c1-10-4-6-14(19,7-5-10)9-17-12-11(2)8-16-13(15-3)18-12/h8,10,19H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyIPYTZRIITBYZBW-UHFFFAOYSA-N
XLogP2.18
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960
1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842921
1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115492
4-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842253
1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118365
4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80843418
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65118410
1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 79073024
1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915307
4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80818986

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 80842820) is 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CNc1ncc(C)c(NCC2(O)CCC(C)CC2)n1.
What is the InChIKey of 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is IPYTZRIITBYZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-4-6-14(19,7-5-10)9-17-12-11(2)8-16-13(15-3)18-12/h8,10,19H,4-7,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80842820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).