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

C15H18F2N4 — CID 112924174

IUPAC2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C15H18F2N4/c1-4-21(5-2)14-8-10(3)18-15(20-14)19-13-7-6-11(16)9-12(13)17/h6-9H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyZVMAKHSDWJQPRV-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.65
Rot. Bonds5

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

2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112924174) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID112924174
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C15H18F2N4/c1-4-21(5-2)14-8-10(3)18-15(20-14)19-13-7-6-11(16)9-12(13)17/h6-9H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyZVMAKHSDWJQPRV-UHFFFAOYSA-N
XLogP3.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.65
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
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899159
4-N-(2,4-difluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80738160
2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786108
2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924103
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 121032523
2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924168
N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914275
2-N-(2,4-difluorophenyl)-4-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928401
2-N-(2,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911480
4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112918052
4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930386

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 112924174) is 2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is CCN(CC)c1cc(C)nc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is ZVMAKHSDWJQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-4-21(5-2)14-8-10(3)18-15(20-14)19-13-7-6-11(16)9-12(13)17/h6-9H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).