4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine

C15H18ClFN4 — CID 80939052

IUPAC4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccc(F)cc2Cl)nc(CC)n1
InChIInChI=1S/C15H18ClFN4/c1-3-7-18-14-9-15(21-13(4-2)20-14)19-12-6-5-10(17)8-11(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,19,20,21)
InChIKeyMPBWWMMLODOXKL-UHFFFAOYSA-N
MW308.79 g/mol
LogP4.40
Rot. Bonds6

About 4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80939052) has the molecular formula C15H18ClFN4 and a molecular weight of 308.79 g/mol. Its IUPAC name is 4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80939052
Molecular FormulaC15H18ClFN4
Molecular Weight308.79 g/mol
Exact Mass308.12
IUPAC Name4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccc(F)cc2Cl)nc(CC)n1
InChIInChI=1S/C15H18ClFN4/c1-3-7-18-14-9-15(21-13(4-2)20-14)19-12-6-5-10(17)8-11(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,19,20,21)
InChIKeyMPBWWMMLODOXKL-UHFFFAOYSA-N
XLogP4.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256414
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256620
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80939677
4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80755241
4-N-(4-bromo-2-chlorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772259
4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80755574
4-N-(4-bromo-2-chlorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80773687
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 83073328
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 107531766

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 80939052) is 4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccc(F)cc2Cl)nc(CC)n1.
What is the InChIKey of 4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is MPBWWMMLODOXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4/c1-3-7-18-14-9-15(21-13(4-2)20-14)19-12-6-5-10(17)8-11(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 308.79 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80939052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).