5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine

C12H16FN7O — CID 90710725

IUPAC5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N)c(F)c(N3CCOCC3)n2)n[nH]1
InChIInChI=1S/C12H16FN7O/c1-7-6-8(19-18-7)15-12-16-10(14)9(13)11(17-12)20-2-4-21-5-3-20/h6H,2-5H2,1H3,(H4,14,15,16,17,18,19)
InChIKeyZVELXQGHXUMEEC-UHFFFAOYSA-N
MW293.31 g/mol
LogP0.81
Rot. Bonds3

About 5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine

5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 90710725) has the molecular formula C12H16FN7O and a molecular weight of 293.31 g/mol. Its IUPAC name is 5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID90710725
Molecular FormulaC12H16FN7O
Molecular Weight293.31 g/mol
Exact Mass293.14
IUPAC Name5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N)c(F)c(N3CCOCC3)n2)n[nH]1
InChIInChI=1S/C12H16FN7O/c1-7-6-8(19-18-7)15-12-16-10(14)9(13)11(17-12)20-2-4-21-5-3-20/h6H,2-5H2,1H3,(H4,14,15,16,17,18,19)
InChIKeyZVELXQGHXUMEEC-UHFFFAOYSA-N
XLogP0.81
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 90710725) is 5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine is Cc1cc(Nc2nc(N)c(F)c(N3CCOCC3)n2)n[nH]1.
What is the InChIKey of 5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is ZVELXQGHXUMEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN7O/c1-7-6-8(19-18-7)15-12-16-10(14)9(13)11(17-12)20-2-4-21-5-3-20/h6H,2-5H2,1H3,(H4,14,15,16,17,18,19).
What are the key properties of 5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 293.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 90710725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).