[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone

C18H19ClN4O — CID 71873119

IUPAC[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCN(c2cc(Cl)ncn2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H19ClN4O/c19-15-12-16(21-13-20-15)22-8-10-23(11-9-22)17(24)18(6-7-18)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2
InChIKeyDVPXIKAOXPZKTQ-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.51
Rot. Bonds3

About [4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone

[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 71873119) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is [4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID71873119
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCN(c2cc(Cl)ncn2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H19ClN4O/c19-15-12-16(21-13-20-15)22-8-10-23(11-9-22)17(24)18(6-7-18)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2
InChIKeyDVPXIKAOXPZKTQ-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
(1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 34004993
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345425
1-[4-(6-chloropyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 55002987
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122335188
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343425
[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31564704
[1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537107
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90516719
1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 71980554
ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 44573250

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone (CID 71873119) is [4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCN(c2cc(Cl)ncn2)CC1)C1(c2ccccc2)CC1.
What is the InChIKey of [4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is DVPXIKAOXPZKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-15-12-16(21-13-20-15)22-8-10-23(11-9-22)17(24)18(6-7-18)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2.
What are the key properties of [4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone?
[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 342.83 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 71873119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).