2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

C18H22FN5O4 — CID 4848846

IUPAC2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22FN5O4/c1-3-7-24-16(20)15(17(27)22-18(24)28)13(25)9-23(2)10-14(26)21-12-6-4-5-11(19)8-12/h4-6,8H,3,7,9-10,20H2,1-2H3,(H,21,26)(H,22,27,28)
InChIKeySQGHJKAANCRTII-UHFFFAOYSA-N
MW391.40 g/mol
LogP0.42
Rot. Bonds8

About 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 4848846) has the molecular formula C18H22FN5O4 and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID4848846
Molecular FormulaC18H22FN5O4
Molecular Weight391.40 g/mol
Exact Mass391.17
IUPAC Name2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22FN5O4/c1-3-7-24-16(20)15(17(27)22-18(24)28)13(25)9-23(2)10-14(26)21-12-6-4-5-11(19)8-12/h4-6,8H,3,7,9-10,20H2,1-2H3,(H,21,26)(H,22,27,28)
InChIKeySQGHJKAANCRTII-UHFFFAOYSA-N
XLogP0.42
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (CID 4848846) is 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide is CCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is SQGHJKAANCRTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O4/c1-3-7-24-16(20)15(17(27)22-18(24)28)13(25)9-23(2)10-14(26)21-12-6-4-5-11(19)8-12/h4-6,8H,3,7,9-10,20H2,1-2H3,(H,21,26)(H,22,27,28).
What are the key properties of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 391.40 g/mol, XLogP of 0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 4848846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).