2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine

C16H21Cl2N5 — CID 67280661

IUPAC2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCCc1cnc(Nc2cccc(Cl)c2Cl)nc1N
InChIInChI=1S/C16H21Cl2N5/c1-23(2)9-4-3-6-11-10-20-16(22-15(11)19)21-13-8-5-7-12(17)14(13)18/h5,7-8,10H,3-4,6,9H2,1-2H3,(H3,19,20,21,22)
InChIKeyAACNGLZWGOMWKP-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.99
Rot. Bonds7

About 2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine

2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine (PubChem CID 67280661) has the molecular formula C16H21Cl2N5 and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
PubChem CID67280661
Molecular FormulaC16H21Cl2N5
Molecular Weight354.29 g/mol
Exact Mass353.12
IUPAC Name2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCCc1cnc(Nc2cccc(Cl)c2Cl)nc1N
InChIInChI=1S/C16H21Cl2N5/c1-23(2)9-4-3-6-11-10-20-16(22-15(11)19)21-13-8-5-7-12(17)14(13)18/h5,7-8,10H,3-4,6,9H2,1-2H3,(H3,19,20,21,22)
InChIKeyAACNGLZWGOMWKP-UHFFFAOYSA-N
XLogP3.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]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

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine (CID 67280661) is 2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine is CN(C)CCCCc1cnc(Nc2cccc(Cl)c2Cl)nc1N.
What is the InChIKey of 2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine?
The InChIKey is AACNGLZWGOMWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N5/c1-23(2)9-4-3-6-11-10-20-16(22-15(11)19)21-13-8-5-7-12(17)14(13)18/h5,7-8,10H,3-4,6,9H2,1-2H3,(H3,19,20,21,22).
What are the key properties of 2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine?
2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine has a molecular weight of 354.29 g/mol, XLogP of 3.99, 7 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)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67280661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).