2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one

C20H19N7OS — CID 2542419

IUPAC2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one
SMILESCc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C)n1
InChIInChI=1S/C20H19N7OS/c1-12-7-3-5-9-14(12)22-19-25-16(24-18(21)26-19)11-29-20-23-15-10-6-4-8-13(15)17(28)27(20)2/h3-10H,11H2,1-2H3,(H3,21,22,24,25,26)
InChIKeyVPAURCWRJDEYSV-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.05
Rot. Bonds5

About 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one

2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one (PubChem CID 2542419) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one
PubChem CID2542419
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one
SMILESCc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C)n1
InChIInChI=1S/C20H19N7OS/c1-12-7-3-5-9-14(12)22-19-25-16(24-18(21)26-19)11-29-20-23-15-10-6-4-8-13(15)17(28)27(20)2/h3-10H,11H2,1-2H3,(H3,21,22,24,25,26)
InChIKeyVPAURCWRJDEYSV-UHFFFAOYSA-N
XLogP3.05
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2482938
2-[[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-(1-methoxypropan-2-yl)quinazolin-4-one
CID 9551949
2-{[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one
CID 135403394
2-[[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 2108712
2-[[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 2575423
2-[[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-butylquinazolin-4-one
CID 2604369
2-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
CID 42883572
2-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135886983
2-[3-[[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]amino]anilino]benzamide
CID 155568441
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-3-phenylquinazolin-4-one
CID 1379890
[4-[[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 2620769
2-(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide
CID 135425424

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one (CID 2542419) is 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one is Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C)n1.
What is the InChIKey of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one?
The InChIKey is VPAURCWRJDEYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c1-12-7-3-5-9-14(12)22-19-25-16(24-18(21)26-19)11-29-20-23-15-10-6-4-8-13(15)17(28)27(20)2/h3-10H,11H2,1-2H3,(H3,21,22,24,25,26).
What are the key properties of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one?
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one has a molecular weight of 405.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 2542419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).