2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol

C16H22N6OS — CID 17228638

IUPAC2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol
SMILESCCOc1cccc2c(C)nc(NC3=NCN(CCS)CN3)nc12
InChIInChI=1S/C16H22N6OS/c1-3-23-13-6-4-5-12-11(2)19-16(20-14(12)13)21-15-17-9-22(7-8-24)10-18-15/h4-6,24H,3,7-10H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyNGYVFDGCFKECMZ-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.85
Rot. Bonds5

About 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol

2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol (PubChem CID 17228638) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol.

Molecular Properties

Compound Name2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol
PubChem CID17228638
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol
SMILESCCOc1cccc2c(C)nc(NC3=NCN(CCS)CN3)nc12
InChIInChI=1S/C16H22N6OS/c1-3-23-13-6-4-5-12-11(2)19-16(20-14(12)13)21-15-17-9-22(7-8-24)10-18-15/h4-6,24H,3,7-10H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyNGYVFDGCFKECMZ-UHFFFAOYSA-N
XLogP1.85
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol with MolForge

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Related Compounds

8-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 17228645
4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 17228617
6-ethoxy-4-methyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 3695177
methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate
CID 17228548
1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 16584499
N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine
CID 17121800
N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine
CID 17228652
5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602403
2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135762523
N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine
CID 17337058
2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135996088
8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66502797

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol?
The IUPAC name of 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol (CID 17228638) is 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol.
What is the SMILES notation for 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol?
The canonical SMILES for 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol is CCOc1cccc2c(C)nc(NC3=NCN(CCS)CN3)nc12.
What is the InChIKey of 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol?
The InChIKey is NGYVFDGCFKECMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-3-23-13-6-4-5-12-11(2)19-16(20-14(12)13)21-15-17-9-22(7-8-24)10-18-15/h4-6,24H,3,7-10H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol?
2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol has a molecular weight of 346.46 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol is sourced from PubChem (CID 17228638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).