2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide

C15H22N4O4 — CID 90649121

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C15H22N4O4/c1-8(2)19-7-10(4-13(19)21)6-16-12(20)5-11-9(3)17-15(23)18-14(11)22/h8,10H,4-7H2,1-3H3,(H,16,20)(H2,17,18,22,23)
InChIKeyZGXFBJFHNQIJLY-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.71
Rot. Bonds5

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 90649121) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
PubChem CID90649121
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C15H22N4O4/c1-8(2)19-7-10(4-13(19)21)6-16-12(20)5-11-9(3)17-15(23)18-14(11)22/h8,10H,4-7H2,1-3H3,(H,16,20)(H2,17,18,22,23)
InChIKeyZGXFBJFHNQIJLY-UHFFFAOYSA-N
XLogP-0.71
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 45497048
N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 95719822
4,6-dimethyl-5-({4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl}carbonyl)-3,4-dihydropyrimidin-2(1H)-one
CID 56713870
6-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-2,4(1H,3H)-pyrimidinedione
CID 70772941
2,3-di(propan-2-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one
CID 57822119
1-Ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione
CID 59853475
5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione
CID 69294271
5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione
CID 91152441
5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione
CID 91456401
6-Methyl-1,5-di(propan-2-yl)pyrimidine-2,4-dione
CID 117882306
2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one
CID 129059147
3,5,6-Tri(propan-2-yl)-1,2-dihydropyrimidin-4-one
CID 134427565

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide (CID 90649121) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC1CC(=O)N(C(C)C)C1.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is ZGXFBJFHNQIJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-8(2)19-7-10(4-13(19)21)6-16-12(20)5-11-9(3)17-15(23)18-14(11)22/h8,10H,4-7H2,1-3H3,(H,16,20)(H2,17,18,22,23).
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 90649121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).