4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine

C15H18Cl2N4 — CID 112900546

IUPAC4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1nccc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H18Cl2N4/c1-2-3-4-9-18-15-19-10-8-13(21-15)20-12-7-5-6-11(16)14(12)17/h5-8,10H,2-4,9H2,1H3,(H2,18,19,20,21)
InChIKeyOJFLCDZHCRFEND-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.13
Rot. Bonds7

About 4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine

4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine (PubChem CID 112900546) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
PubChem CID112900546
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1nccc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H18Cl2N4/c1-2-3-4-9-18-15-19-10-8-13(21-15)20-12-7-5-6-11(16)14(12)17/h5-8,10H,2-4,9H2,1H3,(H2,18,19,20,21)
InChIKeyOJFLCDZHCRFEND-UHFFFAOYSA-N
XLogP5.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887254
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
5-N-(2,3-dichlorophenyl)-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112960009
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
CID 112892101
4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894660
6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904
2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112883088
4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899378
2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904571
4-N-[(4-chlorophenyl)methyl]-2-N-pentylpyrimidine-2,4-diamine
CID 112891913

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine (CID 112900546) is 4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine is CCCCCNc1nccc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine?
The InChIKey is OJFLCDZHCRFEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-2-3-4-9-18-15-19-10-8-13(21-15)20-12-7-5-6-11(16)14(12)17/h5-8,10H,2-4,9H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine?
4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine has a molecular weight of 325.24 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112900546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).