[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone

C26H30N4O2 — CID 46656199

IUPAC[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)nc(C(C)C)n1
InChIInChI=1S/C26H30N4O2/c1-19(2)25-27-20(3)16-24(28-25)29-12-14-30(15-13-29)26(31)22-10-7-11-23(17-22)32-18-21-8-5-4-6-9-21/h4-11,16-17,19H,12-15,18H2,1-3H3
InChIKeyHMEYACHZLSZTOZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.45
Rot. Bonds6

About [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone

[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone (PubChem CID 46656199) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
PubChem CID46656199
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)nc(C(C)C)n1
InChIInChI=1S/C26H30N4O2/c1-19(2)25-27-20(3)16-24(28-25)29-12-14-30(15-13-29)26(31)22-10-7-11-23(17-22)32-18-21-8-5-4-6-9-21/h4-11,16-17,19H,12-15,18H2,1-3H3
InChIKeyHMEYACHZLSZTOZ-UHFFFAOYSA-N
XLogP4.45
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(difluoromethoxy)phenyl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18289174
(3-aminophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119837058
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 46631297
N-methyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 26953566
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
(4-chlorophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18287876
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
2-amino-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119837028
N-[2-(3-methylphenoxy)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 46445438
N-[(2S)-3-methyl-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 38711405
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-[4-[(S)-methylsulfinyl]phenyl]methanone
CID 41429722

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The IUPAC name of [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone (CID 46656199) is [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The canonical SMILES for [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone is Cc1cc(N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)nc(C(C)C)n1.
What is the InChIKey of [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The InChIKey is HMEYACHZLSZTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19(2)25-27-20(3)16-24(28-25)29-12-14-30(15-13-29)26(31)22-10-7-11-23(17-22)32-18-21-8-5-4-6-9-21/h4-11,16-17,19H,12-15,18H2,1-3H3.
What are the key properties of [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone has a molecular weight of 430.55 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 46656199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).