3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile

C15H14N4O — CID 44513971

IUPAC3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
SMILESC/N=c1\c(C#N)c2n(c(=O)n1-c1ccccc1)CCC2
InChIInChI=1S/C15H14N4O/c1-17-14-12(10-16)13-8-5-9-18(13)15(20)19(14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3/b17-14+
InChIKeyYXJOUFYNVURUCD-SAPNQHFASA-N
MW266.30 g/mol
LogP0.99
Rot. Bonds1

About 3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile

3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile (PubChem CID 44513971) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
PubChem CID44513971
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
SMILESC/N=c1\c(C#N)c2n(c(=O)n1-c1ccccc1)CCC2
InChIInChI=1S/C15H14N4O/c1-17-14-12(10-16)13-8-5-9-18(13)15(20)19(14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3/b17-14+
InChIKeyYXJOUFYNVURUCD-SAPNQHFASA-N
XLogP0.99
TPSA63.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
The IUPAC name of 3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile (CID 44513971) is 3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile.
What is the SMILES notation for 3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
The canonical SMILES for 3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile is C/N=c1\c(C#N)c2n(c(=O)n1-c1ccccc1)CCC2.
What is the InChIKey of 3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
The InChIKey is YXJOUFYNVURUCD-SAPNQHFASA-N. The full InChI is InChI=1S/C15H14N4O/c1-17-14-12(10-16)13-8-5-9-18(13)15(20)19(14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3/b17-14+.
What are the key properties of 3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-1-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile is sourced from PubChem (CID 44513971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).