[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone

C18H26N4O2 — CID 136584835

IUPAC[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
SMILESCc1nccc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)n1
InChIInChI=1S/C18H26N4O2/c1-13-19-5-2-17(20-13)21-6-8-22(9-7-21)18(23)16-12-15(16)14-3-10-24-11-4-14/h2,5,14-16H,3-4,6-12H2,1H3/t15-,16+/m0/s1
InChIKeyNVGJOQJKXMNCOU-JKSUJKDBSA-N
MW330.43 g/mol
LogP1.50
Rot. Bonds3

About [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone

[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone (PubChem CID 136584835) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
PubChem CID136584835
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
SMILESCc1nccc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)n1
InChIInChI=1S/C18H26N4O2/c1-13-19-5-2-17(20-13)21-6-8-22(9-7-21)18(23)16-12-15(16)14-3-10-24-11-4-14/h2,5,14-16H,3-4,6-12H2,1H3/t15-,16+/m0/s1
InChIKeyNVGJOQJKXMNCOU-JKSUJKDBSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone with MolForge

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Related Compounds

[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
CID 136584830
2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
CID 123694030
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
(6R)-N,N-dimethyl-1-(2-methylpyrimidin-4-yl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124943585
(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 84588350
N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 86791348
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703659
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
methyl 2-[4-(2-methylpyrimidin-4-yl)-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate
CID 138381263
2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 136530827

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone?
The IUPAC name of [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone (CID 136584835) is [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone?
The canonical SMILES for [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone is Cc1nccc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)n1.
What is the InChIKey of [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone?
The InChIKey is NVGJOQJKXMNCOU-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-19-5-2-17(20-13)21-6-8-22(9-7-21)18(23)16-12-15(16)14-3-10-24-11-4-14/h2,5,14-16H,3-4,6-12H2,1H3/t15-,16+/m0/s1.
What are the key properties of [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone?
[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone has a molecular weight of 330.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone is sourced from PubChem (CID 136584835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).