5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one

C9H10FN5O2 — CID 146497696

IUPAC5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1nn(C)cc1Nc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C9H10FN5O2/c1-15-4-6(8(14-15)17-2)12-9-11-3-5(10)7(16)13-9/h3-4H,1-2H3,(H2,11,12,13,16)
InChIKeyFBKZNAPKHQQZQK-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.39
Rot. Bonds3

About 5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one

5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 146497696) has the molecular formula C9H10FN5O2 and a molecular weight of 239.21 g/mol. Its IUPAC name is 5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID146497696
Molecular FormulaC9H10FN5O2
Molecular Weight239.21 g/mol
Exact Mass239.08
IUPAC Name5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1nn(C)cc1Nc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C9H10FN5O2/c1-15-4-6(8(14-15)17-2)12-9-11-3-5(10)7(16)13-9/h3-4H,1-2H3,(H2,11,12,13,16)
InChIKeyFBKZNAPKHQQZQK-UHFFFAOYSA-N
XLogP0.39
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one (CID 146497696) is 5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one is COc1nn(C)cc1Nc1ncc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FBKZNAPKHQQZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O2/c1-15-4-6(8(14-15)17-2)12-9-11-3-5(10)7(16)13-9/h3-4H,1-2H3,(H2,11,12,13,16).
What are the key properties of 5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 239.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 146497696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).