1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol

C14H24N4O — CID 80843018

IUPAC1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2nc(N)ncc2C)CC1
InChIInChI=1S/C14H24N4O/c1-3-11-4-6-14(19,7-5-11)9-17-12-10(2)8-16-13(15)18-12/h8,11,19H,3-7,9H2,1-2H3,(H3,15,16,17,18)
InChIKeyGUMOICASARKDEA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.11
Rot. Bonds4

About 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 80843018) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID80843018
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2nc(N)ncc2C)CC1
InChIInChI=1S/C14H24N4O/c1-3-11-4-6-14(19,7-5-11)9-17-12-10(2)8-16-13(15)18-12/h8,11,19H,3-7,9H2,1-2H3,(H3,15,16,17,18)
InChIKeyGUMOICASARKDEA-UHFFFAOYSA-N
XLogP2.11
TPSA84.06 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 ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80842262
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842820
4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80843418
4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298
1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121903
1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 103078617
1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 114869310

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 80843018) is 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2nc(N)ncc2C)CC1.
What is the InChIKey of 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is GUMOICASARKDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-11-4-6-14(19,7-5-11)9-17-12-10(2)8-16-13(15)18-12/h8,11,19H,3-7,9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 80843018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).