6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C18H23FN4O3 — CID 26509207

IUPAC6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1ccc(NCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1F
InChIInChI=1S/C18H23FN4O3/c1-10(2)9-23-16(20)15(17(25)22(4)18(23)26)14(24)8-21-12-6-5-11(3)13(19)7-12/h5-7,10,21H,8-9,20H2,1-4H3
InChIKeyVSYMQRINLZVIQH-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.53
Rot. Bonds6

About 6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 26509207) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID26509207
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1ccc(NCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1F
InChIInChI=1S/C18H23FN4O3/c1-10(2)9-23-16(20)15(17(25)22(4)18(23)26)14(24)8-21-12-6-5-11(3)13(19)7-12/h5-7,10,21H,8-9,20H2,1-4H3
InChIKeyVSYMQRINLZVIQH-UHFFFAOYSA-N
XLogP1.53
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 26509207) is 6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is Cc1ccc(NCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1F.
What is the InChIKey of 6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is VSYMQRINLZVIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-10(2)9-23-16(20)15(17(25)22(4)18(23)26)14(24)8-21-12-6-5-11(3)13(19)7-12/h5-7,10,21H,8-9,20H2,1-4H3.
What are the key properties of 6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 362.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 26509207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).