2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one

C15H16FN3O2 — CID 68518200

IUPAC2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one
SMILESCn1c(NCC2CC2)ncc(-c2ccc(O)c(F)c2)c1=O
InChIInChI=1S/C15H16FN3O2/c1-19-14(21)11(10-4-5-13(20)12(16)6-10)8-18-15(19)17-7-9-2-3-9/h4-6,8-9,20H,2-3,7H2,1H3,(H,17,18)
InChIKeyIDGWXYBKHPJQRD-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.11
Rot. Bonds4

About 2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one

2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one (PubChem CID 68518200) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one
PubChem CID68518200
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one
SMILESCn1c(NCC2CC2)ncc(-c2ccc(O)c(F)c2)c1=O
InChIInChI=1S/C15H16FN3O2/c1-19-14(21)11(10-4-5-13(20)12(16)6-10)8-18-15(19)17-7-9-2-3-9/h4-6,8-9,20H,2-3,7H2,1H3,(H,17,18)
InChIKeyIDGWXYBKHPJQRD-UHFFFAOYSA-N
XLogP2.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one (CID 68518200) is 2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one is Cn1c(NCC2CC2)ncc(-c2ccc(O)c(F)c2)c1=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one?
The InChIKey is IDGWXYBKHPJQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-19-14(21)11(10-4-5-13(20)12(16)6-10)8-18-15(19)17-7-9-2-3-9/h4-6,8-9,20H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one?
2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one has a molecular weight of 289.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 68518200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).