2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide

C12H18N4O2 — CID 137178661

IUPAC2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(=O)[nH]c(C2(C)CCCN2CC(N)=O)n1
InChIInChI=1S/C12H18N4O2/c1-8-6-10(18)15-11(14-8)12(2)4-3-5-16(12)7-9(13)17/h6H,3-5,7H2,1-2H3,(H2,13,17)(H,14,15,18)
InChIKeyHIUAKFDCFNCVMG-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.13
Rot. Bonds3

About 2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide

2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 137178661) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID137178661
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(=O)[nH]c(C2(C)CCCN2CC(N)=O)n1
InChIInChI=1S/C12H18N4O2/c1-8-6-10(18)15-11(14-8)12(2)4-3-5-16(12)7-9(13)17/h6H,3-5,7H2,1-2H3,(H2,13,17)(H,14,15,18)
InChIKeyHIUAKFDCFNCVMG-UHFFFAOYSA-N
XLogP-0.13
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide (CID 137178661) is 2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide is Cc1cc(=O)[nH]c(C2(C)CCCN2CC(N)=O)n1.
What is the InChIKey of 2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is HIUAKFDCFNCVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-6-10(18)15-11(14-8)12(2)4-3-5-16(12)7-9(13)17/h6H,3-5,7H2,1-2H3,(H2,13,17)(H,14,15,18).
What are the key properties of 2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide?
2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 250.30 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 137178661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).