4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine

C16H21ClN4 — CID 80938555

IUPAC4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cccc(Cl)c2)nc(CCC)n1
InChIInChI=1S/C16H21ClN4/c1-3-6-14-20-15(18-9-4-2)11-16(21-14)19-13-8-5-7-12(17)10-13/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H2,18,19,20,21)
InChIKeySFHADGYCVIGVIU-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.65
Rot. Bonds7

About 4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine

4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 80938555) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID80938555
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cccc(Cl)c2)nc(CCC)n1
InChIInChI=1S/C16H21ClN4/c1-3-6-14-20-15(18-9-4-2)11-16(21-14)19-13-8-5-7-12(17)10-13/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H2,18,19,20,21)
InChIKeySFHADGYCVIGVIU-UHFFFAOYSA-N
XLogP4.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80945010
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63486808
4-N-(3-chlorophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875777
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80945398
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
N-(3-ethylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947085
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80943742

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine (CID 80938555) is 4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine is CCCNc1cc(Nc2cccc(Cl)c2)nc(CCC)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is SFHADGYCVIGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-3-6-14-20-15(18-9-4-2)11-16(21-14)19-13-8-5-7-12(17)10-13/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine has a molecular weight of 304.82 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80938555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).