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

C19H19FN4O — CID 112877881

IUPAC6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCOc1ccc(Nc2cc(Nc3ccc(F)cc3)nc(C)n2)cc1
InChIInChI=1S/C19H19FN4O/c1-3-25-17-10-8-16(9-11-17)24-19-12-18(21-13(2)22-19)23-15-6-4-14(20)5-7-15/h4-12H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyFRRIFTCMBWDKPA-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.81
Rot. Bonds6

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

6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112877881) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112877881
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCOc1ccc(Nc2cc(Nc3ccc(F)cc3)nc(C)n2)cc1
InChIInChI=1S/C19H19FN4O/c1-3-25-17-10-8-16(9-11-17)24-19-12-18(21-13(2)22-19)23-15-6-4-14(20)5-7-15/h4-12H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyFRRIFTCMBWDKPA-UHFFFAOYSA-N
XLogP4.81
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877576
6-(difluoromethyl)-N-(4-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882784
1-[4-[[6-(4-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112878488
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
3-N-(4-ethoxyphenyl)-5-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965552
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877885
4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932
1-[4-(4-ethoxyanilino)-6-methylpyrimidin-2-yl]-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 133203178
6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112871574
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112872493
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112877881) is 6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine is CCOc1ccc(Nc2cc(Nc3ccc(F)cc3)nc(C)n2)cc1.
What is the InChIKey of 6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is FRRIFTCMBWDKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-3-25-17-10-8-16(9-11-17)24-19-12-18(21-13(2)22-19)23-15-6-4-14(20)5-7-15/h4-12H,3H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 338.39 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).