6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine

C12H15FN4O — CID 118567817

IUPAC6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine
SMILESCNC1C=C(c2ccc(F)cc2OC)NC(N)=N1
InChIInChI=1S/C12H15FN4O/c1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2/h3-6,11,15H,1-2H3,(H3,14,16,17)
InChIKeyCIUIRTXANCTCBI-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.64
Rot. Bonds3

About 6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine

6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine (PubChem CID 118567817) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine
PubChem CID118567817
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine
SMILESCNC1C=C(c2ccc(F)cc2OC)NC(N)=N1
InChIInChI=1S/C12H15FN4O/c1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2/h3-6,11,15H,1-2H3,(H3,14,16,17)
InChIKeyCIUIRTXANCTCBI-UHFFFAOYSA-N
XLogP0.64
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine (CID 118567817) is 6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine is CNC1C=C(c2ccc(F)cc2OC)NC(N)=N1.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine?
The InChIKey is CIUIRTXANCTCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2/h3-6,11,15H,1-2H3,(H3,14,16,17).
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine?
6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine has a molecular weight of 250.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine is sourced from PubChem (CID 118567817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).