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

C11H10F2N4 — CID 90189196

IUPAC6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C11H10F2N4/c1-15-10-5-9(16-11(14)17-10)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyOKNKONNZYZGZMB-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.05
Rot. Bonds2

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

6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 90189196) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID90189196
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C11H10F2N4/c1-15-10-5-9(16-11(14)17-10)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyOKNKONNZYZGZMB-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimethanil
CID 91650
Cyprodinil
CID 86367
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-Phenylpyrimidine
CID 18923
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Amino-4-phenylpyrimidine
CID 598777
Revaprazan
CID 204104
4-Iodo-6-phenylpyrimidine
CID 817368
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine (CID 90189196) is 6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(-c2ccc(F)c(F)c2)nc(N)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is OKNKONNZYZGZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-15-10-5-9(16-11(14)17-10)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 236.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 90189196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).