[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone

C23H30N4O — CID 5073556

IUPAC[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCc1nc(C)c(C(C)C)c(N2CCN(C(=O)C3CC3c3ccccc3)CC2)n1
InChIInChI=1S/C23H30N4O/c1-15(2)21-16(3)24-17(4)25-22(21)26-10-12-27(13-11-26)23(28)20-14-19(20)18-8-6-5-7-9-18/h5-9,15,19-20H,10-14H2,1-4H3
InChIKeyCSIXQESISGDMPD-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.67
Rot. Bonds4

About [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone

[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 5073556) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID5073556
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCc1nc(C)c(C(C)C)c(N2CCN(C(=O)C3CC3c3ccccc3)CC2)n1
InChIInChI=1S/C23H30N4O/c1-15(2)21-16(3)24-17(4)25-22(21)26-10-12-27(13-11-26)23(28)20-14-19(20)18-8-6-5-7-9-18/h5-9,15,19-20H,10-14H2,1-4H3
InChIKeyCSIXQESISGDMPD-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 92952929
[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 5047532
(2-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110420007
cyclopropyl-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 3630991
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 97006519
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone
CID 100620299
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
(4-tert-butylphenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 4667570
(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702
(3,5-dimethoxyphenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 4047446
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone (CID 5073556) is [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone is Cc1nc(C)c(C(C)C)c(N2CCN(C(=O)C3CC3c3ccccc3)CC2)n1.
What is the InChIKey of [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is CSIXQESISGDMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-15(2)21-16(3)24-17(4)25-22(21)26-10-12-27(13-11-26)23(28)20-14-19(20)18-8-6-5-7-9-18/h5-9,15,19-20H,10-14H2,1-4H3.
What are the key properties of [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 378.52 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 5073556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).