2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C20H19N5OS — CID 46675993

IUPAC2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCNc1nc(SCc2cc(=O)n3c(C)cccc3n2)nc2ccccc12
InChIInChI=1S/C20H19N5OS/c1-3-21-19-15-8-4-5-9-16(15)23-20(24-19)27-12-14-11-18(26)25-13(2)7-6-10-17(25)22-14/h4-11H,3,12H2,1-2H3,(H,21,23,24)
InChIKeyZGTJDBULQQFISR-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.67
Rot. Bonds5

About 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 46675993) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID46675993
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCNc1nc(SCc2cc(=O)n3c(C)cccc3n2)nc2ccccc12
InChIInChI=1S/C20H19N5OS/c1-3-21-19-15-8-4-5-9-16(15)23-20(24-19)27-12-14-11-18(26)25-13(2)7-6-10-17(25)22-14/h4-11H,3,12H2,1-2H3,(H,21,23,24)
InChIKeyZGTJDBULQQFISR-UHFFFAOYSA-N
XLogP3.67
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 46805740
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
6-methyl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 48914972
2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 17434936
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethylquinazolin-4-amine
CID 38992590
N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine
CID 154837193
2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 46805986
6-bromo-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 46806421
6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51245265
1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
CID 38991640
2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8916555
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 51174039

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 46675993) is 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is CCNc1nc(SCc2cc(=O)n3c(C)cccc3n2)nc2ccccc12.
What is the InChIKey of 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZGTJDBULQQFISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-3-21-19-15-8-4-5-9-16(15)23-20(24-19)27-12-14-11-18(26)25-13(2)7-6-10-17(25)22-14/h4-11H,3,12H2,1-2H3,(H,21,23,24).
What are the key properties of 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 377.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46675993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).