4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol

C15H25N3O2 — CID 115975138

IUPAC4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCOc1ccnc(NCC2(O)CCC(C)CC2)n1
InChIInChI=1S/C15H25N3O2/c1-3-10-20-13-6-9-16-14(18-13)17-11-15(19)7-4-12(2)5-8-15/h6,9,12,19H,3-5,7-8,10-11H2,1-2H3,(H,16,17,18)
InChIKeyJUUFPBNOLUDWEQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.62
Rot. Bonds6

About 4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol

4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 115975138) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID115975138
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCOc1ccnc(NCC2(O)CCC(C)CC2)n1
InChIInChI=1S/C15H25N3O2/c1-3-10-20-13-6-9-16-14(18-13)17-11-15(19)7-4-12(2)5-8-15/h6,9,12,19H,3-5,7-8,10-11H2,1-2H3,(H,16,17,18)
InChIKeyJUUFPBNOLUDWEQ-UHFFFAOYSA-N
XLogP2.62
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65118410
1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 112636230
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
CID 103970456
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370
N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638214
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
CID 112638202
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]benzonitrile
CID 115974523
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400
4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
CID 112638177

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (CID 115975138) is 4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is CCCOc1ccnc(NCC2(O)CCC(C)CC2)n1.
What is the InChIKey of 4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is JUUFPBNOLUDWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-10-20-13-6-9-16-14(18-13)17-11-15(19)7-4-12(2)5-8-15/h6,9,12,19H,3-5,7-8,10-11H2,1-2H3,(H,16,17,18).
What are the key properties of 4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115975138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).