N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine

C15H18ClN3O — CID 66328797

IUPACN-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC(C)c2ccccc2Cl)ncn1
InChIInChI=1S/C15H18ClN3O/c1-3-8-20-15-9-14(17-10-18-15)19-11(2)12-6-4-5-7-13(12)16/h4-7,9-11H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyDXJPCFUEZMSSKP-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.09
Rot. Bonds6

About N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine

N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine (PubChem CID 66328797) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine
PubChem CID66328797
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC(C)c2ccccc2Cl)ncn1
InChIInChI=1S/C15H18ClN3O/c1-3-8-20-15-9-14(17-10-18-15)19-11(2)12-6-4-5-7-13(12)16/h4-7,9-11H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyDXJPCFUEZMSSKP-UHFFFAOYSA-N
XLogP4.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-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

6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328207
1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334028
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxypyrimidin-4-amine
CID 106388801
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181
1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
CID 66328407
6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 66330165
6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453620
N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133307821
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
CID 114154931
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine (CID 66328797) is N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NC(C)c2ccccc2Cl)ncn1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine?
The InChIKey is DXJPCFUEZMSSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-8-20-15-9-14(17-10-18-15)19-11(2)12-6-4-5-7-13(12)16/h4-7,9-11H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine?
N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66328797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).