6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide

C15H24N4O3 — CID 131899166

IUPAC6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCN2CCOCC2)nc(=O)[nH]1
InChIInChI=1S/C15H24N4O3/c1-11(2)9-12-10-13(18-15(21)17-12)14(20)16-3-4-19-5-7-22-8-6-19/h10-11H,3-9H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyHEOVOZXQUHOVQJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.03
Rot. Bonds6

About 6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide

6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 131899166) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID131899166
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCN2CCOCC2)nc(=O)[nH]1
InChIInChI=1S/C15H24N4O3/c1-11(2)9-12-10-13(18-15(21)17-12)14(20)16-3-4-19-5-7-22-8-6-19/h10-11H,3-9H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyHEOVOZXQUHOVQJ-UHFFFAOYSA-N
XLogP0.03
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 131899166) is 6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NCCN2CCOCC2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HEOVOZXQUHOVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11(2)9-12-10-13(18-15(21)17-12)14(20)16-3-4-19-5-7-22-8-6-19/h10-11H,3-9H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of 6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide?
6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 131899166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).