4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine

C15H18F2N4 — CID 112900671

IUPAC4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H18F2N4/c1-3-4-10-21(2)13-8-9-18-15(19-13)20-14-11(16)6-5-7-12(14)17/h5-9H,3-4,10H2,1-2H3,(H,18,19,20)
InChIKeyAXEWCQPRDBYVSL-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.73
Rot. Bonds6

About 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine

4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 112900671) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID112900671
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H18F2N4/c1-3-4-10-21(2)13-8-9-18-15(19-13)20-14-11(16)6-5-7-12(14)17/h5-9H,3-4,10H2,1-2H3,(H,18,19,20)
InChIKeyAXEWCQPRDBYVSL-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

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
N-2-Pyridylaniline
CID 81130
Amprolium ion
CID 2178
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
2-N-phenylpyridine-2,3-diamine
CID 10679091
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
N-phenyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1478450

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine (CID 112900671) is 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine is CCCCN(C)c1ccnc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is AXEWCQPRDBYVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-3-4-10-21(2)13-8-9-18-15(19-13)20-14-11(16)6-5-7-12(14)17/h5-9H,3-4,10H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
4-N-butyl-2-N-(2,6-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-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112900671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).