1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine

C13H22ClN3O — CID 80751917

IUPAC1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(OC)ncc1Cl
InChIInChI=1S/C13H22ClN3O/c1-4-6-10(15-7-5-2)8-12-11(14)9-16-13(17-12)18-3/h9-10,15H,4-8H2,1-3H3
InChIKeyWGGNJJXPAPFQPW-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.85
Rot. Bonds8

About 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine

1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine (PubChem CID 80751917) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine
PubChem CID80751917
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(OC)ncc1Cl
InChIInChI=1S/C13H22ClN3O/c1-4-6-10(15-7-5-2)8-12-11(14)9-16-13(17-12)18-3/h9-10,15H,4-8H2,1-3H3
InChIKeyWGGNJJXPAPFQPW-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-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

1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine
CID 80752472
3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 80752686
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol
CID 115733636
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79412204
1-(3-methyl-2-pyridinyl)-N-propylpentan-2-amine
CID 63198506
N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65280543
1-(3-fluoro-2-pyridinyl)-N-propylpentan-2-amine
CID 63198137
1-(6-methoxynaphthalen-2-yl)-N-propylpentan-2-amine
CID 22007044
N-propyl-1-quinoxalin-2-ylpentan-2-amine
CID 63198228
5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine
CID 107816615
2-(5-chloro-2-methoxypyrimidin-4-yl)-1-phenylethanone
CID 80752358
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine (CID 80751917) is 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine is CCCNC(CCC)Cc1nc(OC)ncc1Cl.
What is the InChIKey of 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine?
The InChIKey is WGGNJJXPAPFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-4-6-10(15-7-5-2)8-12-11(14)9-16-13(17-12)18-3/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine?
1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine has a molecular weight of 271.79 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 80751917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).