2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide

C15H24N4O3 — CID 91765945

IUPAC2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCCOC2CCN(C)CC2)c(=O)[nH]1
InChIInChI=1S/C15H24N4O3/c1-11-17-10-13(15(21)18-11)14(20)16-6-3-9-22-12-4-7-19(2)8-5-12/h10,12H,3-9H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyMIUANGSTHKYAHZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.31
Rot. Bonds6

About 2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 91765945) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID91765945
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCCOC2CCN(C)CC2)c(=O)[nH]1
InChIInChI=1S/C15H24N4O3/c1-11-17-10-13(15(21)18-11)14(20)16-6-3-9-22-12-4-7-19(2)8-5-12/h10,12H,3-9H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyMIUANGSTHKYAHZ-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
(E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide
CID 163754749
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72926350
4-Hydroxy-N-(3-isopropoxypropyl)-2-methylpyrimidine-5-carboxamide
CID 72934942
N-ethyl-2-methyl-6-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxamide
CID 90649266
N-(5-morpholin-4-ylpentyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91775144
5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896274
5-[(2S)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896275
N-ethyl-2-methyl-N-[[(2S)-oxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 100044212
N-ethyl-2-methyl-N-[[(2R)-oxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 100044214

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 91765945) is 2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCCCOC2CCN(C)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is MIUANGSTHKYAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-17-10-13(15(21)18-11)14(20)16-6-3-9-22-12-4-7-19(2)8-5-12/h10,12H,3-9H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of 2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91765945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).