7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one

C8H7N3O — CID 137006021

IUPAC7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
SMILESC#Cc1cc2n(c(=O)n1)CCN2
InChIInChI=1S/C8H7N3O/c1-2-6-5-7-9-3-4-11(7)8(12)10-6/h1,5,9H,3-4H2
InChIKeyQDNLURJNUYNXLK-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.35
Rot. Bonds

About 7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one

7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 137006021) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID137006021
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
SMILESC#Cc1cc2n(c(=O)n1)CCN2
InChIInChI=1S/C8H7N3O/c1-2-6-5-7-9-3-4-11(7)8(12)10-6/h1,5,9H,3-4H2
InChIKeyQDNLURJNUYNXLK-UHFFFAOYSA-N
XLogP-0.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one (CID 137006021) is 7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one is C#Cc1cc2n(c(=O)n1)CCN2.
What is the InChIKey of 7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is QDNLURJNUYNXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-2-6-5-7-9-3-4-11(7)8(12)10-6/h1,5,9H,3-4H2.
What are the key properties of 7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 161.16 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethynyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 137006021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).