5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

C12H20ClN3O — CID 106162556

IUPAC5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCCc1nc(Cl)cc(NCCCC(C)CO)n1
InChIInChI=1S/C12H20ClN3O/c1-3-11-15-10(13)7-12(16-11)14-6-4-5-9(2)8-17/h7,9,17H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyLHGHQHIZMONHQL-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.51
Rot. Bonds7

About 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 106162556) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
PubChem CID106162556
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCCc1nc(Cl)cc(NCCCC(C)CO)n1
InChIInChI=1S/C12H20ClN3O/c1-3-11-15-10(13)7-12(16-11)14-6-4-5-9(2)8-17/h7,9,17H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyLHGHQHIZMONHQL-UHFFFAOYSA-N
XLogP2.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-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

5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 114152330
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80936890
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80936381

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 106162556) is 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is CCc1nc(Cl)cc(NCCCC(C)CO)n1.
What is the InChIKey of 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The InChIKey is LHGHQHIZMONHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-11-15-10(13)7-12(16-11)14-6-4-5-9(2)8-17/h7,9,17H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106162556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).