[(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C18H28N4O2 — CID 92553488

IUPAC[(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)[C@]3(C)CCCO3)CC2)nc(C(C)C)n1
InChIInChI=1S/C18H28N4O2/c1-13(2)16-19-14(3)12-15(20-16)21-7-9-22(10-8-21)17(23)18(4)6-5-11-24-18/h12-13H,5-11H2,1-4H3/t18-/m0/s1
InChIKeyTZTCXEBMMOSKGA-SFHVURJKSA-N
MW332.45 g/mol
LogP2.13
Rot. Bonds3

About [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

[(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 92553488) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID92553488
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)[C@]3(C)CCCO3)CC2)nc(C(C)C)n1
InChIInChI=1S/C18H28N4O2/c1-13(2)16-19-14(3)12-15(20-16)21-7-9-22(10-8-21)17(23)18(4)6-5-11-24-18/h12-13H,5-11H2,1-4H3/t18-/m0/s1
InChIKeyTZTCXEBMMOSKGA-SFHVURJKSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46954682
(1-aminocyclohexyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 119837069
(2,2-dichloro-1-methylcyclopropyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 17404159
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42917862
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 80702341
N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 31669174
3-hydroxy-3-methyl-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 154839417
(3-ethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 146107545
(4-chlorophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18287876
(2-amino-4-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 146098918
4-(methylamino)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837026
(4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 146090926

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 92553488) is [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)[C@]3(C)CCCO3)CC2)nc(C(C)C)n1.
What is the InChIKey of [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is TZTCXEBMMOSKGA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)16-19-14(3)12-15(20-16)21-7-9-22(10-8-21)17(23)18(4)6-5-11-24-18/h12-13H,5-11H2,1-4H3/t18-/m0/s1.
What are the key properties of [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
[(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 332.45 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 92553488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).