2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide

C14H21N5O3 — CID 70760010

IUPAC2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCN2CCNC2=O)c(=O)[nH]1
InChIInChI=1S/C14H21N5O3/c1-14(2,3)12-17-8-9(11(21)18-12)10(20)15-4-6-19-7-5-16-13(19)22/h8H,4-7H2,1-3H3,(H,15,20)(H,16,22)(H,17,18,21)
InChIKeyHYCQMASJCQYYIV-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.18
Rot. Bonds4

About 2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide

2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 70760010) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
PubChem CID70760010
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCN2CCNC2=O)c(=O)[nH]1
InChIInChI=1S/C14H21N5O3/c1-14(2,3)12-17-8-9(11(21)18-12)10(20)15-4-6-19-7-5-16-13(19)22/h8H,4-7H2,1-3H3,(H,15,20)(H,16,22)(H,17,18,21)
InChIKeyHYCQMASJCQYYIV-UHFFFAOYSA-N
XLogP-0.18
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide (CID 70760010) is 2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCCN2CCNC2=O)c(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is HYCQMASJCQYYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-14(2,3)12-17-8-9(11(21)18-12)10(20)15-4-6-19-7-5-16-13(19)22/h8H,4-7H2,1-3H3,(H,15,20)(H,16,22)(H,17,18,21).
What are the key properties of 2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70760010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).