6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine

C16H20ClN3O — CID 63729687

IUPAC6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCCCOc1ccccc1
InChIInChI=1S/C16H20ClN3O/c1-2-7-14-15(17)19-12-20-16(14)18-10-6-11-21-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,18,19,20)
InChIKeySGXKVGWBMVKHLC-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.96
Rot. Bonds8

About 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine

6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine (PubChem CID 63729687) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
PubChem CID63729687
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCCCOc1ccccc1
InChIInChI=1S/C16H20ClN3O/c1-2-7-14-15(17)19-12-20-16(14)18-10-6-11-21-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,18,19,20)
InChIKeySGXKVGWBMVKHLC-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine 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

N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729398
6-N,5-diethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80791055
6-chloro-N-(2-ethoxyethyl)-5-propylpyrimidin-4-amine
CID 63730290
5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine
CID 80826774
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327992
N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 63734589
6-methoxy-5-methyl-N-(3-phenoxypropyl)pyrimidin-4-amine
CID 66324814
6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 63730091
6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine
CID 13075482

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine (CID 63729687) is 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NCCCOc1ccccc1.
What is the InChIKey of 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine?
The InChIKey is SGXKVGWBMVKHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-2-7-14-15(17)19-12-20-16(14)18-10-6-11-21-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63729687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).