2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine

C15H17FN4O — CID 80986122

IUPAC2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(C3CC3)nc(N)c2C)cc1F
InChIInChI=1S/C15H17FN4O/c1-8-13(17)19-15(9-3-4-9)20-14(8)18-10-5-6-12(21-2)11(16)7-10/h5-7,9H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyKSVMDPDHFWSCAR-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.14
Rot. Bonds4

About 2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80986122) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80986122
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(C3CC3)nc(N)c2C)cc1F
InChIInChI=1S/C15H17FN4O/c1-8-13(17)19-15(9-3-4-9)20-14(8)18-10-5-6-12(21-2)11(16)7-10/h5-7,9H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyKSVMDPDHFWSCAR-UHFFFAOYSA-N
XLogP3.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80982612
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80975985
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80977204
2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981554
N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006460
4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80778681
4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107371117
2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80978703
4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80982222
4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107580689
2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80985427

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine (CID 80986122) is 2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine is COc1ccc(Nc2nc(C3CC3)nc(N)c2C)cc1F.
What is the InChIKey of 2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is KSVMDPDHFWSCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-8-13(17)19-15(9-3-4-9)20-14(8)18-10-5-6-12(21-2)11(16)7-10/h5-7,9H,3-4H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 288.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).