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

C13H14Cl2N4 — CID 80754827

IUPAC4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H14Cl2N4/c1-2-7-16-13-17-8-6-11(19-13)18-10-5-3-4-9(14)12(10)15/h3-6,8H,2,7H2,1H3,(H2,16,17,18,19)
InChIKeyNSQLSHPHCOSRNP-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.35
Rot. Bonds5

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

4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80754827) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80754827
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H14Cl2N4/c1-2-7-16-13-17-8-6-11(19-13)18-10-5-3-4-9(14)12(10)15/h3-6,8H,2,7H2,1H3,(H2,16,17,18,19)
InChIKeyNSQLSHPHCOSRNP-UHFFFAOYSA-N
XLogP4.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
CID 112900546
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887254
6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904
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
5-chloro-4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754901
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904571
4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112906719

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine (CID 80754827) is 4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is NSQLSHPHCOSRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-2-7-16-13-17-8-6-11(19-13)18-10-5-3-4-9(14)12(10)15/h3-6,8H,2,7H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 297.19 g/mol, XLogP of 4.35, 5 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-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80754827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).