8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine

C21H25N6O+ — CID 6987752

IUPAC8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine
SMILESCOc1cccc2c(C)nc(NC3=NC[NH+](CCc4ccccc4)CN3)nc12
InChIInChI=1S/C21H24N6O/c1-15-17-9-6-10-18(28-2)19(17)25-21(24-15)26-20-22-13-27(14-23-20)12-11-16-7-4-3-5-8-16/h3-10H,11-14H2,1-2H3,(H2,22,23,24,25,26)/p+1
InChIKeyYARGLCHCQRWJEY-UHFFFAOYSA-O
MW377.47 g/mol
LogP1.36
Rot. Bonds5

About 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine

8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine (PubChem CID 6987752) has the molecular formula C21H25N6O+ and a molecular weight of 377.47 g/mol. Its IUPAC name is 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine.

Molecular Properties

Compound Name8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine
PubChem CID6987752
Molecular FormulaC21H25N6O+
Molecular Weight377.47 g/mol
Exact Mass377.21
IUPAC Name8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine
SMILESCOc1cccc2c(C)nc(NC3=NC[NH+](CCc4ccccc4)CN3)nc12
InChIInChI=1S/C21H24N6O/c1-15-17-9-6-10-18(28-2)19(17)25-21(24-15)26-20-22-13-27(14-23-20)12-11-16-7-4-3-5-8-16/h3-10H,11-14H2,1-2H3,(H2,22,23,24,25,26)/p+1
InChIKeyYARGLCHCQRWJEY-UHFFFAOYSA-O
XLogP1.36
TPSA75.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol
CID 17228638
4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 1397245
1-(8-methoxy-4-methylquinazolin-2-yl)-N-methylmethanamine
CID 105471316
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
5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602403
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
CID 10248595
4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 17228617
2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
CID 73344824
N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine
CID 17228652
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 19988739
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
(8-methoxy-4-methylquinazolin-2-yl)methanamine
CID 84777278

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine?
The IUPAC name of 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine (CID 6987752) is 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine.
What is the SMILES notation for 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine?
The canonical SMILES for 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine is COc1cccc2c(C)nc(NC3=NC[NH+](CCc4ccccc4)CN3)nc12.
What is the InChIKey of 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine?
The InChIKey is YARGLCHCQRWJEY-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N6O/c1-15-17-9-6-10-18(28-2)19(17)25-21(24-15)26-20-22-13-27(14-23-20)12-11-16-7-4-3-5-8-16/h3-10H,11-14H2,1-2H3,(H2,22,23,24,25,26)/p+1.
What are the key properties of 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine?
8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-N-[3-(2-phenylethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]quinazolin-2-amine is sourced from PubChem (CID 6987752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).