4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

C14H16Cl2N4 — CID 80945819

IUPAC4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-3-5-11-19-12(17-2)8-13(20-11)18-10-7-4-6-9(15)14(10)16/h4,6-8H,3,5H2,1-2H3,(H2,17,18,19,20)
InChIKeyQZYBLZPIPDFRKU-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.52
Rot. Bonds5

About 4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80945819) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80945819
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-3-5-11-19-12(17-2)8-13(20-11)18-10-7-4-6-9(15)14(10)16/h4,6-8H,3,5H2,1-2H3,(H2,17,18,19,20)
InChIKeyQZYBLZPIPDFRKU-UHFFFAOYSA-N
XLogP4.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 103481880
4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 106761041
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 104725572
6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80945398
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 82758688
6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80949746
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 107795388
4-N-(2,3-dimethylphenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934005
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876944

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80945819) is 4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is QZYBLZPIPDFRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-3-5-11-19-12(17-2)8-13(20-11)18-10-7-4-6-9(15)14(10)16/h4,6-8H,3,5H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 311.22 g/mol, XLogP of 4.52, 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)-6-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80945819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).