cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone

C28H32N4O2 — CID 83282859

IUPACcyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(OC)c1
InChIInChI=1S/C28H32N4O2/c1-3-25-24(19-20-8-7-11-23(18-20)34-2)27(30-26(29-25)21-9-5-4-6-10-21)31-14-16-32(17-15-31)28(33)22-12-13-22/h4-11,18,22H,3,12-17,19H2,1-2H3
InChIKeyBEULSIDDYBETID-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.36
Rot. Bonds7

About cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 83282859) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID83282859
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Namecyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(OC)c1
InChIInChI=1S/C28H32N4O2/c1-3-25-24(19-20-8-7-11-23(18-20)34-2)27(30-26(29-25)21-9-5-4-6-10-21)31-14-16-32(17-15-31)28(33)22-12-13-22/h4-11,18,22H,3,12-17,19H2,1-2H3
InChIKeyBEULSIDDYBETID-UHFFFAOYSA-N
XLogP4.36
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 83282860
1-[4-[6-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 83279385
[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 83286476
[4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]-cyclopropylmethanone
CID 5181766
cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 83286539
cyclopentyl-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 1029658
[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 4564256
1-[4-[6-(methoxymethyl)-2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 83284454
N-tert-butyl-4-[6-(methoxymethyl)-2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 83279689
2-methoxy-1-[4-[6-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 91633193
[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone
CID 42775057
4-[6-(methoxymethyl)-2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 83283162

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone (CID 83282859) is cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone is CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(OC)c1.
What is the InChIKey of cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is BEULSIDDYBETID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-3-25-24(19-20-8-7-11-23(18-20)34-2)27(30-26(29-25)21-9-5-4-6-10-21)31-14-16-32(17-15-31)28(33)22-12-13-22/h4-11,18,22H,3,12-17,19H2,1-2H3.
What are the key properties of cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 456.59 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 83282859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).