N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide

C17H16N4O — CID 121024151

IUPACN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide
SMILESCc1c(-c2cccc(NC(=O)C3CC3)c2)nc2ncccn12
InChIInChI=1S/C17H16N4O/c1-11-15(20-17-18-8-3-9-21(11)17)13-4-2-5-14(10-13)19-16(22)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,19,22)
InChIKeyOAOHGTIDKAKWMX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.05
Rot. Bonds3

About N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide

N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide (PubChem CID 121024151) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide
PubChem CID121024151
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide
SMILESCc1c(-c2cccc(NC(=O)C3CC3)c2)nc2ncccn12
InChIInChI=1S/C17H16N4O/c1-11-15(20-17-18-8-3-9-21(11)17)13-4-2-5-14(10-13)19-16(22)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,19,22)
InChIKeyOAOHGTIDKAKWMX-UHFFFAOYSA-N
XLogP3.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide (CID 121024151) is N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide is Cc1c(-c2cccc(NC(=O)C3CC3)c2)nc2ncccn12.
What is the InChIKey of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is OAOHGTIDKAKWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-15(20-17-18-8-3-9-21(11)17)13-4-2-5-14(10-13)19-16(22)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,19,22).
What are the key properties of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide?
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 121024151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).