1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile

C13H15N5O — CID 80599657

IUPAC1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C13H15N5O/c14-10-13(2-3-13)11(19)17-6-8-18(9-7-17)12-15-4-1-5-16-12/h1,4-5H,2-3,6-9H2
InChIKeyZEOXNXCEWRRQCC-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.43
Rot. Bonds2

About 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile

1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 80599657) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile
PubChem CID80599657
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C13H15N5O/c14-10-13(2-3-13)11(19)17-6-8-18(9-7-17)12-15-4-1-5-16-12/h1,4-5H,2-3,6-9H2
InChIKeyZEOXNXCEWRRQCC-UHFFFAOYSA-N
XLogP0.43
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile
CID 78994794
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 41138717
N-(2-cyanophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979029
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
N-cyclopropyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970652
N-(cyanomethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43315831
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 82765088
(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827990
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile (CID 80599657) is 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is ZEOXNXCEWRRQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-10-13(2-3-13)11(19)17-6-8-18(9-7-17)12-15-4-1-5-16-12/h1,4-5H,2-3,6-9H2.
What are the key properties of 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile?
1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 80599657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).