2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine

C17H13Cl3N4 — CID 112892101

IUPAC2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
SMILESClc1ccc(CNc2nccc(Nc3cccc(Cl)c3Cl)n2)cc1
InChIInChI=1S/C17H13Cl3N4/c18-12-6-4-11(5-7-12)10-22-17-21-9-8-15(24-17)23-14-3-1-2-13(19)16(14)20/h1-9H,10H2,(H2,21,22,23,24)
InChIKeyGSCCVPVRDWKVPA-UHFFFAOYSA-N
MW379.68 g/mol
LogP5.79
Rot. Bonds5

About 2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine

2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 112892101) has the molecular formula C17H13Cl3N4 and a molecular weight of 379.68 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
PubChem CID112892101
Molecular FormulaC17H13Cl3N4
Molecular Weight379.68 g/mol
Exact Mass378.02
IUPAC Name2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
SMILESClc1ccc(CNc2nccc(Nc3cccc(Cl)c3Cl)n2)cc1
InChIInChI=1S/C17H13Cl3N4/c18-12-6-4-11(5-7-12)10-22-17-21-9-8-15(24-17)23-14-3-1-2-13(19)16(14)20/h1-9H,10H2,(H2,21,22,23,24)
InChIKeyGSCCVPVRDWKVPA-UHFFFAOYSA-N
XLogP5.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.68
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
CID 112900546
4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887254
4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112892059
4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894660
2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891979
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149
4-N-(2,3-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886962
4-N-(2-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897320
2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904571
4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891823
4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893652

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine (CID 112892101) is 2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine is Clc1ccc(CNc2nccc(Nc3cccc(Cl)c3Cl)n2)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is GSCCVPVRDWKVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N4/c18-12-6-4-11(5-7-12)10-22-17-21-9-8-15(24-17)23-14-3-1-2-13(19)16(14)20/h1-9H,10H2,(H2,21,22,23,24).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine?
2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 379.68 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112892101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).