6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine

C19H19FN4 — CID 112877576

IUPAC6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(Nc3ccc(F)cc3)nc(C)n2)cc1
InChIInChI=1S/C19H19FN4/c1-3-14-4-8-16(9-5-14)23-18-12-19(22-13(2)21-18)24-17-10-6-15(20)7-11-17/h4-12H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyNWTVTSITDZMZSQ-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.97
Rot. Bonds5

About 6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine

6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112877576) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112877576
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(Nc3ccc(F)cc3)nc(C)n2)cc1
InChIInChI=1S/C19H19FN4/c1-3-14-4-8-16(9-5-14)23-18-12-19(22-13(2)21-18)24-17-10-6-15(20)7-11-17/h4-12H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyNWTVTSITDZMZSQ-UHFFFAOYSA-N
XLogP4.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112872493
4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193288
methyl 4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877592
6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112871574
4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 122324380
6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876654
6-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877582
4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874136
6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112877598

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112877576) is 6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine is CCc1ccc(Nc2cc(Nc3ccc(F)cc3)nc(C)n2)cc1.
What is the InChIKey of 6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is NWTVTSITDZMZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-3-14-4-8-16(9-5-14)23-18-12-19(22-13(2)21-18)24-17-10-6-15(20)7-11-17/h4-12H,3H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 322.39 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).