cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

C18H20N4O — CID 90516549

IUPACcyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C18H20N4O/c23-18(15-6-7-15)22-10-8-21(9-11-22)17-12-16(19-13-20-17)14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2
InChIKeyQNPQQTSXDSRELQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.20
Rot. Bonds3

About cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 90516549) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID90516549
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Namecyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C18H20N4O/c23-18(15-6-7-15)22-10-8-21(9-11-22)17-12-16(19-13-20-17)14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2
InChIKeyQNPQQTSXDSRELQ-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
CID 121018196
[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90519445
cyclopropyl-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121106815
5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90516710
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
ethyl 4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazine-1-carboxylate
CID 121168073
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 56764803
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-phenylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 121018156
1-(3,4-dimethylphenyl)-4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90516679
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[1-(6-phenylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 121168273

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 90516549) is cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is QNPQQTSXDSRELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(15-6-7-15)22-10-8-21(9-11-22)17-12-16(19-13-20-17)14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2.
What are the key properties of cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 90516549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).