4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

C14H15ClF2N4 — CID 83075606

IUPAC4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C14H15ClF2N4/c1-3-4-18-14-19-8(2)5-12(21-14)20-13-10(15)6-9(16)7-11(13)17/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21)
InChIKeyZYJQSPXBFOXIPX-UHFFFAOYSA-N
MW312.75 g/mol
LogP4.28
Rot. Bonds5

About 4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 83075606) has the molecular formula C14H15ClF2N4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID83075606
Molecular FormulaC14H15ClF2N4
Molecular Weight312.75 g/mol
Exact Mass312.10
IUPAC Name4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C14H15ClF2N4/c1-3-4-18-14-19-8(2)5-12(21-14)20-13-10(15)6-9(16)7-11(13)17/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21)
InChIKeyZYJQSPXBFOXIPX-UHFFFAOYSA-N
XLogP4.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80855581
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846976
4-N-(4-bromo-3-fluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80842688
2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112908448
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925569
2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906929
5-chloro-2-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80831318
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 83082901
6-methyl-2-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106433956
4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80818999
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 83075606) is 4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(Nc2c(F)cc(F)cc2Cl)n1.
What is the InChIKey of 4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is ZYJQSPXBFOXIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N4/c1-3-4-18-14-19-8(2)5-12(21-14)20-13-10(15)6-9(16)7-11(13)17/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 312.75 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 83075606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).