4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine

C15H18F2N4 — CID 82802010

IUPAC4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2c(F)ccc(C)c2F)c1C
InChIInChI=1S/C15H18F2N4/c1-4-7-18-14-10(3)15(20-8-19-14)21-13-11(16)6-5-9(2)12(13)17/h5-6,8H,4,7H2,1-3H3,(H2,18,19,20,21)
InChIKeyIIMIQMDHHAENPZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.94
Rot. Bonds5

About 4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 82802010) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID82802010
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2c(F)ccc(C)c2F)c1C
InChIInChI=1S/C15H18F2N4/c1-4-7-18-14-10(3)15(20-8-19-14)21-13-11(16)6-5-9(2)12(13)17/h5-6,8H,4,7H2,1-3H3,(H2,18,19,20,21)
InChIKeyIIMIQMDHHAENPZ-UHFFFAOYSA-N
XLogP3.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 82803367
4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647096
4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 82822681
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
4-N-(4-bromo-2-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80759265
6-N-ethyl-5-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80856039
4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80776616
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80824692
6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80878423
6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 79742436
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 82802010) is 4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(Nc2c(F)ccc(C)c2F)c1C.
What is the InChIKey of 4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is IIMIQMDHHAENPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-4-7-18-14-10(3)15(20-8-19-14)21-13-11(16)6-5-9(2)12(13)17/h5-6,8H,4,7H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 82802010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).