N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide

C14H21N3O3 — CID 90649266

IUPACN-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC1CCCCO1)C(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C14H21N3O3/c1-3-17(9-11-6-4-5-7-20-11)14(19)12-8-15-10(2)16-13(12)18/h8,11H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyJUZKBEJNNSXQRF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.11
Rot. Bonds4

About N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 90649266) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID90649266
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC1CCCCO1)C(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C14H21N3O3/c1-3-17(9-11-6-4-5-7-20-11)14(19)12-8-15-10(2)16-13(12)18/h8,11H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyJUZKBEJNNSXQRF-UHFFFAOYSA-N
XLogP1.11
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-({4-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56901759
N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 164640054
2-isopropyl-5-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-4(3H)-pyrimidinone
CID 56866965
4-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 48015353
2-cyclopropyl-5-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-4(3H)-pyrimidinone
CID 56880502
N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-ethyl-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72901479
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
2-methyl-N-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91765945
5-[(2R)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 95527971
5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 95527972
2-cyclopropyl-5-[(2R)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95560930
2-cyclopropyl-5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95560932

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 90649266) is N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide is CCN(CC1CCCCO1)C(=O)c1cnc(C)[nH]c1=O.
What is the InChIKey of N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JUZKBEJNNSXQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-17(9-11-6-4-5-7-20-11)14(19)12-8-15-10(2)16-13(12)18/h8,11H,3-7,9H2,1-2H3,(H,15,16,18).
What are the key properties of N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90649266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).