[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone

C21H26N4O3 — CID 122332260

IUPAC[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1cc(N2CCN(C(=O)C3(c4ccccc4OC)CC3)CC2)nc(C)n1
InChIInChI=1S/C21H26N4O3/c1-15-22-18(14-19(23-15)28-3)24-10-12-25(13-11-24)20(26)21(8-9-21)16-6-4-5-7-17(16)27-2/h4-7,14H,8-13H2,1-3H3
InChIKeySUNGXXZLBSSFKE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.18
Rot. Bonds5

About [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone

[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone (PubChem CID 122332260) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
PubChem CID122332260
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1cc(N2CCN(C(=O)C3(c4ccccc4OC)CC3)CC2)nc(C)n1
InChIInChI=1S/C21H26N4O3/c1-15-22-18(14-19(23-15)28-3)24-10-12-25(13-11-24)20(26)21(8-9-21)16-6-4-5-7-17(16)27-2/h4-7,14H,8-13H2,1-3H3
InChIKeySUNGXXZLBSSFKE-UHFFFAOYSA-N
XLogP2.18
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343425
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122348099
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349471
[1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355598
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 121035141
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168175
(7-methoxy-1-benzofuran-2-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332265
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
2-(2-fluorophenyl)-1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122332331
(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone (CID 122332260) is [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone is COc1cc(N2CCN(C(=O)C3(c4ccccc4OC)CC3)CC2)nc(C)n1.
What is the InChIKey of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is SUNGXXZLBSSFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-22-18(14-19(23-15)28-3)24-10-12-25(13-11-24)20(26)21(8-9-21)16-6-4-5-7-17(16)27-2/h4-7,14H,8-13H2,1-3H3.
What are the key properties of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone?
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 382.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 122332260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).