6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide

C14H21N3O3 — CID 91763725

IUPAC6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2CCOC2)nc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-9(2)5-11-6-12(17-14(19)16-11)13(18)15-7-10-3-4-20-8-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyZLNQXIIJUHFDAU-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.73
Rot. Bonds5

About 6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide

6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide (PubChem CID 91763725) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide
PubChem CID91763725
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2CCOC2)nc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-9(2)5-11-6-12(17-14(19)16-11)13(18)15-7-10-3-4-20-8-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyZLNQXIIJUHFDAU-UHFFFAOYSA-N
XLogP0.73
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide (CID 91763725) is 6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NCC2CCOC2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is ZLNQXIIJUHFDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)5-11-6-12(17-14(19)16-11)13(18)15-7-10-3-4-20-8-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of 6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide?
6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-oxo-N-(oxolan-3-ylmethyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 91763725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).