4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine

C18H17FN4O2 — CID 112865697

IUPAC4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(Nc3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C18H17FN4O2/c1-24-14-7-8-16(25-2)15(9-14)23-18-10-17(20-11-21-18)22-13-5-3-12(19)4-6-13/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyLFSVOMOBKPCKHF-UHFFFAOYSA-N
MW340.36 g/mol
LogP4.12
Rot. Bonds6

About 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine

4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112865697) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID112865697
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(Nc3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C18H17FN4O2/c1-24-14-7-8-16(25-2)15(9-14)23-18-10-17(20-11-21-18)22-13-5-3-12(19)4-6-13/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyLFSVOMOBKPCKHF-UHFFFAOYSA-N
XLogP4.12
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
Bisanilinopyrimidine, 6f
CID 70702137
4-N-(2-dimethylphosphorylphenyl)-5-fluoro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 68165338
2,4-Bisanilinopyrimidine, 29
CID 44224084
2,4-Bisanilinopyrimidine, 30
CID 44224085
2-N-butan-2-yl-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3336201
N4-(2,5-dimethoxyphenyl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
CID 3824882
N-(4-methoxyphenyl)-N'-phenylpyrimidine-4,6-diamine
CID 22432844
4-(3-Methoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9950111
4-(2,5-Dimethoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9969752
4-(2,5-Dimethoxyanilino)-2-(2-pyrazinyl)-6-(trifluoromethyl)pyrimidine
CID 10134174
4-(2,5-Dimethoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10156358

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine (CID 112865697) is 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine is COc1ccc(OC)c(Nc2cc(Nc3ccc(F)cc3)ncn2)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is LFSVOMOBKPCKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-24-14-7-8-16(25-2)15(9-14)23-18-10-17(20-11-21-18)22-13-5-3-12(19)4-6-13/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 340.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).