(6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone

C15H16N2O — CID 102242065

IUPAC(6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c2n1CCCN2
InChIInChI=1S/C15H16N2O/c1-11-10-13(15-16-8-5-9-17(11)15)14(18)12-6-3-2-4-7-12/h2-4,6-7,10,16H,5,8-9H2,1H3
InChIKeyVUWXBXYWXBESHF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.84
Rot. Bonds2

About (6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone

(6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone (PubChem CID 102242065) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone
PubChem CID102242065
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c2n1CCCN2
InChIInChI=1S/C15H16N2O/c1-11-10-13(15-16-8-5-9-17(11)15)14(18)12-6-3-2-4-7-12/h2-4,6-7,10,16H,5,8-9H2,1H3
InChIKeyVUWXBXYWXBESHF-UHFFFAOYSA-N
XLogP2.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 9-benzoyl-6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylate
CID 177485155
phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 135671358
ethyl 8-(4-fluorobenzoyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 102368525
(8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone
CID 102052820
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
4-(3-benzoyl-2,5-dimethylpyrrol-1-yl)-2-hydroxybenzoic acid
CID 71591051
ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate
CID 25067318
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
CID 142256933
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone
CID 822330

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone?
The IUPAC name of (6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone (CID 102242065) is (6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone.
What is the SMILES notation for (6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone?
The canonical SMILES for (6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)c2n1CCCN2.
What is the InChIKey of (6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone?
The InChIKey is VUWXBXYWXBESHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-10-13(15-16-8-5-9-17(11)15)14(18)12-6-3-2-4-7-12/h2-4,6-7,10,16H,5,8-9H2,1H3.
What are the key properties of (6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone?
(6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone has a molecular weight of 240.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone is sourced from PubChem (CID 102242065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).