2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C16H24N4O3 — CID 72926350

IUPAC2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCN(C3CCOCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-11-17-10-14(15(21)18-11)16(22)19-12-2-6-20(7-3-12)13-4-8-23-9-5-13/h10,12-13H,2-9H2,1H3,(H,19,22)(H,17,18,21)
InChIKeyHOXLBPCRSOPNGS-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.45
Rot. Bonds3

About 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72926350) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72926350
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCN(C3CCOCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-11-17-10-14(15(21)18-11)16(22)19-12-2-6-20(7-3-12)13-4-8-23-9-5-13/h10,12-13H,2-9H2,1H3,(H,19,22)(H,17,18,21)
InChIKeyHOXLBPCRSOPNGS-UHFFFAOYSA-N
XLogP0.45
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
2-isopropyl-5-(3-oxa-9-azaspiro[5.5]undec-9-ylcarbonyl)pyrimidin-4(3H)-one
CID 56880047
2-methyl-6-oxo-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72889272
4-hydroxy-2-methyl-N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 72909134
2-methyl-N-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91765945
6-oxo-N-[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]-1,6-dihydropyrimidine-5-carboxamide
CID 91796125
ethyl 4-[(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 110853948
2-methyl-6-oxo-N-[(3R*,4S*)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1,6-dihydro-5-pyrimidinecarboxamide
CID 133112385
2-methyl-5-{[rel-(4S,9aR)-4-propylhexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]carbonyl}-4(3H)-pyrimidinone
CID 155910323
2-methyl-N-[1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 156605562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 72926350) is 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CCN(C3CCOCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HOXLBPCRSOPNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-17-10-14(15(21)18-11)16(22)19-12-2-6-20(7-3-12)13-4-8-23-9-5-13/h10,12-13H,2-9H2,1H3,(H,19,22)(H,17,18,21).
What are the key properties of 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72926350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).