[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone

C16H24N4O2 — CID 126783230

IUPAC[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCC(C)c1ccnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1
InChIInChI=1S/C16H24N4O2/c1-12(2)13-5-6-17-16(18-13)20-9-7-19(8-10-20)15(21)14-4-3-11-22-14/h5-6,12,14H,3-4,7-11H2,1-2H3/t14-/m0/s1
InChIKeyNUDLIENMBTZWKB-AWEZNQCLSA-N
MW304.39 g/mol
LogP1.43
Rot. Bonds3

About [(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone

[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 126783230) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID126783230
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCC(C)c1ccnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1
InChIInChI=1S/C16H24N4O2/c1-12(2)13-5-6-17-16(18-13)20-9-7-19(8-10-20)15(21)14-4-3-11-22-14/h5-6,12,14H,3-4,7-11H2,1-2H3/t14-/m0/s1
InChIKeyNUDLIENMBTZWKB-AWEZNQCLSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
(1S,4R)-4-[4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclobut-2-ene-1-carboxylic acid
CID 167786580
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
[4-(6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 15818184
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42917862
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine
CID 170175295
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121031849
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
[4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42669359
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 126783230) is [(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone is CC(C)c1ccnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is NUDLIENMBTZWKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(2)13-5-6-17-16(18-13)20-9-7-19(8-10-20)15(21)14-4-3-11-22-14/h5-6,12,14H,3-4,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126783230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).