4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine

C11H10F2N4 — CID 80797193

IUPAC4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(F)c2F)ncn1
InChIInChI=1S/C11H10F2N4/c1-14-9-5-10(16-6-15-9)17-8-4-2-3-7(12)11(8)13/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyLEZHPVQLSKYHGU-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.54
Rot. Bonds3

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

4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80797193) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80797193
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(F)c2F)ncn1
InChIInChI=1S/C11H10F2N4/c1-14-9-5-10(16-6-15-9)17-8-4-2-3-7(12)11(8)13/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyLEZHPVQLSKYHGU-UHFFFAOYSA-N
XLogP2.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577
4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80763536
6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835461
4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762561
2,3-difluoro-N-methylaniline
CID 50998712
4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80849441
6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112867081
4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80798019
6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 80759856

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80797193) is 4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2cccc(F)c2F)ncn1.
What is the InChIKey of 4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is LEZHPVQLSKYHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-14-9-5-10(16-6-15-9)17-8-4-2-3-7(12)11(8)13/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 236.23 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80797193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).