5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine

C18H17FN4O2 — CID 22061080

IUPAC5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ncc(F)c(Nc3cccc(OC)c3)n2)c1
InChIInChI=1S/C18H17FN4O2/c1-24-14-7-3-5-12(9-14)21-17-16(19)11-20-18(23-17)22-13-6-4-8-15(10-13)25-2/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyMOFAHEYAIBXIFZ-UHFFFAOYSA-N
MW340.36 g/mol
LogP4.12
Rot. Bonds6

About 5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine

5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 22061080) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID22061080
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ncc(F)c(Nc3cccc(OC)c3)n2)c1
InChIInChI=1S/C18H17FN4O2/c1-24-14-7-3-5-12(9-14)21-17-16(19)11-20-18(23-17)22-13-6-4-8-15(10-13)25-2/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyMOFAHEYAIBXIFZ-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

N-[2-chloro-4-[[5-fluoro-4-(3-methoxyanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 142899072
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 22060410
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
CID 66759549
5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 17311136
2-[3-[[5-fluoro-4-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 174489150
N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine
CID 158191141
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
4-N-(3-aminophenyl)-5-fluoro-2-N-[4-(2-methoxyethoxymethoxy)phenyl]pyrimidine-2,4-diamine
CID 86724329
4-N-(6,7-difluoroquinolin-3-yl)-2-N-(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 176696628

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine (CID 22061080) is 5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine is COc1cccc(Nc2ncc(F)c(Nc3cccc(OC)c3)n2)c1.
What is the InChIKey of 5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is MOFAHEYAIBXIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-24-14-7-3-5-12(9-14)21-17-16(19)11-20-18(23-17)22-13-6-4-8-15(10-13)25-2/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-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 5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 22061080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).