6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine

C19H28N8O — CID 17336980

IUPAC6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCCOc1ccc2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2c1
InChIInChI=1S/C19H28N8O/c1-4-28-15-5-6-17-16(11-15)14(2)22-19(23-17)24-18-20-12-27(13-21-18)26-9-7-25(3)8-10-26/h5-6,11H,4,7-10,12-13H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyIVIMSRRKTJAZLB-UHFFFAOYSA-N
MW384.49 g/mol
LogP1.09
Rot. Bonds4

About 6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine

6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (PubChem CID 17336980) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is 6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine.

Molecular Properties

Compound Name6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
PubChem CID17336980
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCCOc1ccc2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2c1
InChIInChI=1S/C19H28N8O/c1-4-28-15-5-6-17-16(11-15)14(2)22-19(23-17)24-18-20-12-27(13-21-18)26-9-7-25(3)8-10-26/h5-6,11H,4,7-10,12-13H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyIVIMSRRKTJAZLB-UHFFFAOYSA-N
XLogP1.09
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 17228591
6-ethoxy-4-methyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 3695177
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
6-methoxy-4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 1093178
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-6-one
CID 847326
6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine
CID 3754318
N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine
CID 17121800
4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 655606
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
CID 780214
4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 1397245
4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 664190
6-ethoxy-4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine
CID 7011751

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The IUPAC name of 6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (CID 17336980) is 6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine.
What is the SMILES notation for 6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The canonical SMILES for 6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is CCOc1ccc2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2c1.
What is the InChIKey of 6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The InChIKey is IVIMSRRKTJAZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O/c1-4-28-15-5-6-17-16(11-15)14(2)22-19(23-17)24-18-20-12-27(13-21-18)26-9-7-25(3)8-10-26/h5-6,11H,4,7-10,12-13H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine has a molecular weight of 384.49 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is sourced from PubChem (CID 17336980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).