4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine

C19H16Cl2N4O — CID 59788248

IUPAC4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
SMILESC=CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
InChIInChI=1S/C19H16Cl2N4O/c1-2-9-26-17-8-5-13(21)10-15(17)16-11-18(25-19(22)24-16)23-14-6-3-12(20)4-7-14/h2-8,10-11H,1,9H2,(H3,22,23,24,25)
InChIKeyBALCMWSCWDBPLJ-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.34
Rot. Bonds6

About 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 59788248) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
PubChem CID59788248
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
SMILESC=CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
InChIInChI=1S/C19H16Cl2N4O/c1-2-9-26-17-8-5-13(21)10-15(17)16-11-18(25-19(22)24-16)23-14-6-3-12(20)4-7-14/h2-8,10-11H,1,9H2,(H3,22,23,24,25)
InChIKeyBALCMWSCWDBPLJ-UHFFFAOYSA-N
XLogP5.34
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine 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-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607106
6-(5-bromo-2-butoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607220
2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
CID 11406086
[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-aminoacetate
CID 11235689
6-(5-bromo-2-propan-2-yloxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788223
6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11313962
2,4-diamino-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-5-carbonitrile
CID 169397431
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
6-[5-bromo-2-[(2-methoxyphenoxy)methyl]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788238
N-[1-[4-[[2-amino-6-(2,5-dichlorophenyl)pyrimidin-4-yl]amino]phenyl]ethylidene]hydroxylamine
CID 74818738
2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole
CID 56723242
(NE)-N-[1-[4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethylidene]hydroxylamine
CID 59788231

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine (CID 59788248) is 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine is C=CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is BALCMWSCWDBPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-2-9-26-17-8-5-13(21)10-15(17)16-11-18(25-19(22)24-16)23-14-6-3-12(20)4-7-14/h2-8,10-11H,1,9H2,(H3,22,23,24,25).
What are the key properties of 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 387.27 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59788248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).