4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine

C15H18F2N4 — CID 112900650

IUPAC4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C15H18F2N4/c1-3-4-9-21(2)14-7-8-18-15(20-14)19-13-6-5-11(16)10-12(13)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKeyVADFJPMDWNEOJM-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.73
Rot. Bonds6

About 4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine

4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 112900650) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID112900650
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C15H18F2N4/c1-3-4-9-21(2)14-7-8-18-15(20-14)19-13-6-5-11(16)10-12(13)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKeyVADFJPMDWNEOJM-UHFFFAOYSA-N
XLogP3.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899159
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 112900671
4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112900569
4-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 112900604
4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 19139880
3-N-butyl-5-N-(2,4-difluorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112960230
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
2-N-(2,4-difluorophenyl)-4-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-2,4-diamine
CID 112896147
4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887881
N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide
CID 109217787
4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112899771
6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846999

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine (CID 112900650) is 4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine is CCCCN(C)c1ccnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is VADFJPMDWNEOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-3-4-9-21(2)14-7-8-18-15(20-14)19-13-6-5-11(16)10-12(13)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112900650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).