2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine

C20H20F2N4 — CID 112937704

IUPAC2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H20F2N4/c1-3-26(4-2)19-13-18(14-8-6-5-7-9-14)24-20(25-19)23-15-10-11-16(21)17(22)12-15/h5-13H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyMCTBVGXJNYWAKH-UHFFFAOYSA-N
MW354.40 g/mol
LogP5.01
Rot. Bonds6

About 2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine

2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937704) has the molecular formula C20H20F2N4 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112937704
Molecular FormulaC20H20F2N4
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H20F2N4/c1-3-26(4-2)19-13-18(14-8-6-5-7-9-14)24-20(25-19)23-15-10-11-16(21)17(22)12-15/h5-13H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyMCTBVGXJNYWAKH-UHFFFAOYSA-N
XLogP5.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937696
methyl 3-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]amino]benzoate
CID 112937685
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937029
2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937667
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937674
2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112936187
4-N-benzyl-2-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918934
2-N-(3,4-difluorophenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935688
6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863564
4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112937657
2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924119

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine (CID 112937704) is 2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine is CCN(CC)c1cc(-c2ccccc2)nc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is MCTBVGXJNYWAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4/c1-3-26(4-2)19-13-18(14-8-6-5-7-9-14)24-20(25-19)23-15-10-11-16(21)17(22)12-15/h5-13H,3-4H2,1-2H3,(H,23,24,25).
What are the key properties of 2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 354.40 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).