6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione

C19H22FN5O4 — CID 169167962

IUPAC6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCNC2=O)c(N)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H22FN5O4/c1-2-24-17(27)15(14(26)11-23-9-3-8-22-18(23)28)16(21)25(19(24)29)10-12-4-6-13(20)7-5-12/h4-7H,2-3,8-11,21H2,1H3,(H,22,28)
InChIKeyCVNZICNEHRJYHO-UHFFFAOYSA-N
MW403.41 g/mol
LogP0.40
Rot. Bonds6

About 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione

6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione (PubChem CID 169167962) has the molecular formula C19H22FN5O4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione
PubChem CID169167962
Molecular FormulaC19H22FN5O4
Molecular Weight403.41 g/mol
Exact Mass403.17
IUPAC Name6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCNC2=O)c(N)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H22FN5O4/c1-2-24-17(27)15(14(26)11-23-9-3-8-22-18(23)28)16(21)25(19(24)29)10-12-4-6-13(20)7-5-12/h4-7H,2-3,8-11,21H2,1H3,(H,22,28)
InChIKeyCVNZICNEHRJYHO-UHFFFAOYSA-N
XLogP0.40
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione (CID 169167962) is 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCCNC2=O)c(N)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione?
The InChIKey is CVNZICNEHRJYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O4/c1-2-24-17(27)15(14(26)11-23-9-3-8-22-18(23)28)16(21)25(19(24)29)10-12-4-6-13(20)7-5-12/h4-7H,2-3,8-11,21H2,1H3,(H,22,28).
What are the key properties of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione?
6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione has a molecular weight of 403.41 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-oxo-1,3-diazinan-1-yl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 169167962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).