2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine

C18H17Cl2N5 — CID 112906065

IUPAC2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccc(Nc2ccnc(Nc3cccc(Cl)c3Cl)n2)cc1
InChIInChI=1S/C18H17Cl2N5/c1-25(2)13-8-6-12(7-9-13)22-16-10-11-21-18(24-16)23-15-5-3-4-14(19)17(15)20/h3-11H,1-2H3,(H2,21,22,23,24)
InChIKeyLYRMUWQNCICBKO-UHFFFAOYSA-N
MW374.28 g/mol
LogP5.34
Rot. Bonds5

About 2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine

2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine (PubChem CID 112906065) has the molecular formula C18H17Cl2N5 and a molecular weight of 374.28 g/mol. Its IUPAC name is 2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
PubChem CID112906065
Molecular FormulaC18H17Cl2N5
Molecular Weight374.28 g/mol
Exact Mass373.09
IUPAC Name2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccc(Nc2ccnc(Nc3cccc(Cl)c3Cl)n2)cc1
InChIInChI=1S/C18H17Cl2N5/c1-25(2)13-8-6-12(7-9-13)22-16-10-11-21-18(24-16)23-15-5-3-4-14(19)17(15)20/h3-11H,1-2H3,(H2,21,22,23,24)
InChIKeyLYRMUWQNCICBKO-UHFFFAOYSA-N
XLogP5.34
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2,3-dichloroanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112906722
methyl 4-[[2-(2,3-dichloroanilino)pyrimidin-4-yl]amino]benzoate
CID 112905974
4-N-(2,3-dichlorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905254
4-N-(3-chloro-4-methylphenyl)-2-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112904069
4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112904136
2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904571
4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887254
3-N-(3-chloro-2-methylphenyl)-5-N-[4-(dimethylamino)phenyl]-1,2,4-triazine-3,5-diamine
CID 112966230
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
2-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904932
2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112903842
2-N-[4-(dimethylamino)phenyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112906073

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine (CID 112906065) is 2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine is CN(C)c1ccc(Nc2ccnc(Nc3cccc(Cl)c3Cl)n2)cc1.
What is the InChIKey of 2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine?
The InChIKey is LYRMUWQNCICBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5/c1-25(2)13-8-6-12(7-9-13)22-16-10-11-21-18(24-16)23-15-5-3-4-14(19)17(15)20/h3-11H,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine?
2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine has a molecular weight of 374.28 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112906065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).