2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one

C19H23N5O3 — CID 136874984

IUPAC2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1cnc(-c2nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)cc(=O)[nH]2)cn1
InChIInChI=1S/C19H23N5O3/c1-12-10-21-15(11-20-12)18-22-14(9-17(25)23-18)13-4-6-24(7-5-13)19(26)16-3-2-8-27-16/h9-11,13,16H,2-8H2,1H3,(H,22,23,25)/t16-/m0/s1
InChIKeyVZZUGZLREPRUAO-INIZCTEOSA-N
MW369.43 g/mol
LogP1.42
Rot. Bonds3

About 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one

2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136874984) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID136874984
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1cnc(-c2nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)cc(=O)[nH]2)cn1
InChIInChI=1S/C19H23N5O3/c1-12-10-21-15(11-20-12)18-22-14(9-17(25)23-18)13-4-6-24(7-5-13)19(26)16-3-2-8-27-16/h9-11,13,16H,2-8H2,1H3,(H,22,23,25)/t16-/m0/s1
InChIKeyVZZUGZLREPRUAO-INIZCTEOSA-N
XLogP1.42
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821061
2-morpholin-4-yl-4-[1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136765876
[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 124999857
2-methyl-5-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124977155
2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132890
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 157011393
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110263682
[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92616961
5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172663122
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
7-[(2S)-oxolane-2-carbonyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136678905

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 136874984) is 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one is Cc1cnc(-c2nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)cc(=O)[nH]2)cn1.
What is the InChIKey of 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is VZZUGZLREPRUAO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-10-21-15(11-20-12)18-22-14(9-17(25)23-18)13-4-6-24(7-5-13)19(26)16-3-2-8-27-16/h9-11,13,16H,2-8H2,1H3,(H,22,23,25)/t16-/m0/s1.
What are the key properties of 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 369.43 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136874984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).