5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile

C17H12FN5O2 — CID 142345140

IUPAC5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile
SMILESCOc1nc(Nc2cnc(C#N)c(O)c2)ncc1-c1cccc(F)c1
InChIInChI=1S/C17H12FN5O2/c1-25-16-13(10-3-2-4-11(18)5-10)9-21-17(23-16)22-12-6-15(24)14(7-19)20-8-12/h2-6,8-9,24H,1H3,(H,21,22,23)
InChIKeyPGMRVMVPEZOIIC-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.01
Rot. Bonds4

About 5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile

5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile (PubChem CID 142345140) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile
PubChem CID142345140
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile
SMILESCOc1nc(Nc2cnc(C#N)c(O)c2)ncc1-c1cccc(F)c1
InChIInChI=1S/C17H12FN5O2/c1-25-16-13(10-3-2-4-11(18)5-10)9-21-17(23-16)22-12-6-15(24)14(7-19)20-8-12/h2-6,8-9,24H,1H3,(H,21,22,23)
InChIKeyPGMRVMVPEZOIIC-UHFFFAOYSA-N
XLogP3.01
TPSA103.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile?
The IUPAC name of 5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile (CID 142345140) is 5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile is COc1nc(Nc2cnc(C#N)c(O)c2)ncc1-c1cccc(F)c1.
What is the InChIKey of 5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile?
The InChIKey is PGMRVMVPEZOIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-25-16-13(10-3-2-4-11(18)5-10)9-21-17(23-16)22-12-6-15(24)14(7-19)20-8-12/h2-6,8-9,24H,1H3,(H,21,22,23).
What are the key properties of 5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile?
5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile has a molecular weight of 337.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-fluorophenyl)-4-methoxypyrimidin-2-yl]amino]-3-hydroxypyridine-2-carbonitrile is sourced from PubChem (CID 142345140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).