(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone

C21H20N2O — CID 42643461

IUPAC(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone
SMILESCC1=CC2=NCC(C(=O)c3ccc4cc(C)ccc4c3)CN2C=C1
InChIInChI=1S/C21H20N2O/c1-14-3-4-17-11-18(6-5-16(17)9-14)21(24)19-12-22-20-10-15(2)7-8-23(20)13-19/h3-11,19H,12-13H2,1-2H3
InChIKeyDJTIRUGMSOSCKU-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.13
Rot. Bonds2

About (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone

(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone (PubChem CID 42643461) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone
PubChem CID42643461
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone
SMILESCC1=CC2=NCC(C(=O)c3ccc4cc(C)ccc4c3)CN2C=C1
InChIInChI=1S/C21H20N2O/c1-14-3-4-17-11-18(6-5-16(17)9-14)21(24)19-12-22-20-10-15(2)7-8-23(20)13-19/h3-11,19H,12-13H2,1-2H3
InChIKeyDJTIRUGMSOSCKU-UHFFFAOYSA-N
XLogP4.13
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone with MolForge

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Related Compounds

(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid
CID 42643460
(6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid
CID 42643462
4-[4-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-3-carbonyl)phenyl]benzonitrile;hydrochloride
CID 42643709
(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-phenylmethanone;perchloric acid
CID 42646320
3-Naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 122203480
(4-cyclohexylphenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid
CID 42646566
(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid
CID 42646820
3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-methylphenyl)methanone;perchloric acid
CID 49797621
(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-methylphenyl)methanone;perchloric acid
CID 49797623
(9-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-phenylmethanone;perchloric acid
CID 49797646
(9-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-methylphenyl)methanone;perchloric acid
CID 49797648
(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid
CID 42643468

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone?
The IUPAC name of (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone (CID 42643461) is (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone.
What is the SMILES notation for (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone?
The canonical SMILES for (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone is CC1=CC2=NCC(C(=O)c3ccc4cc(C)ccc4c3)CN2C=C1.
What is the InChIKey of (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone?
The InChIKey is DJTIRUGMSOSCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-14-3-4-17-11-18(6-5-16(17)9-14)21(24)19-12-22-20-10-15(2)7-8-23(20)13-19/h3-11,19H,12-13H2,1-2H3.
What are the key properties of (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone?
(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone is sourced from PubChem (CID 42643461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).