2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C19H20FN3O2S — CID 58448500

IUPAC2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1ccc(C(=O)Cc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)s1
InChIInChI=1S/C19H20FN3O2S/c1-11-4-7-16(26-11)15(24)9-12-5-6-14(20)13(8-12)19(2)10-17(25)23(3)18(21)22-19/h4-8H,9-10H2,1-3H3,(H2,21,22)
InChIKeyUSQUVLSJSLZWOX-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.01
Rot. Bonds4

About 2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 58448500) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID58448500
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1ccc(C(=O)Cc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)s1
InChIInChI=1S/C19H20FN3O2S/c1-11-4-7-16(26-11)15(24)9-12-5-6-14(20)13(8-12)19(2)10-17(25)23(3)18(21)22-19/h4-8H,9-10H2,1-3H3,(H2,21,22)
InChIKeyUSQUVLSJSLZWOX-UHFFFAOYSA-N
XLogP3.01
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 58448500) is 2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is Cc1ccc(C(=O)Cc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)s1.
What is the InChIKey of 2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is USQUVLSJSLZWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-11-4-7-16(26-11)15(24)9-12-5-6-14(20)13(8-12)19(2)10-17(25)23(3)18(21)22-19/h4-8H,9-10H2,1-3H3,(H2,21,22).
What are the key properties of 2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 373.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-fluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 58448500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).