3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol

C13H22ClN3O — CID 114145568

IUPAC3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(Cl)nc(CC)n1
InChIInChI=1S/C13H22ClN3O/c1-3-5-10(6-7-18)9-15-13-8-11(14)16-12(4-2)17-13/h8,10,18H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyDDPOGJOYRSAJQR-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.90
Rot. Bonds8

About 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol

3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 114145568) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID114145568
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(Cl)nc(CC)n1
InChIInChI=1S/C13H22ClN3O/c1-3-5-10(6-7-18)9-15-13-8-11(14)16-12(4-2)17-13/h8,10,18H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyDDPOGJOYRSAJQR-UHFFFAOYSA-N
XLogP2.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-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

3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154937
3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80951466
3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118665
3-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145570
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80936381
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 114145568) is 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1cc(Cl)nc(CC)n1.
What is the InChIKey of 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is DDPOGJOYRSAJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-3-5-10(6-7-18)9-15-13-8-11(14)16-12(4-2)17-13/h8,10,18H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 114145568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).