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

C19H28N8O — CID 17228645

IUPAC8-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCCOc1cccc2c(C)nc(NC3=NCN(N4CCN(C)CC4)CN3)nc12
InChIInChI=1S/C19H28N8O/c1-4-28-16-7-5-6-15-14(2)22-19(23-17(15)16)24-18-20-12-27(13-21-18)26-10-8-25(3)9-11-26/h5-7H,4,8-13H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyPXHRBVSOWHVGGI-UHFFFAOYSA-N
MW384.49 g/mol
LogP1.09
Rot. Bonds4

About 8-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine

8-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (PubChem CID 17228645) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is 8-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 Name8-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
PubChem CID17228645
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name8-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCCOc1cccc2c(C)nc(NC3=NCN(N4CCN(C)CC4)CN3)nc12
InChIInChI=1S/C19H28N8O/c1-4-28-16-7-5-6-15-14(2)22-19(23-17(15)16)24-18-20-12-27(13-21-18)26-10-8-25(3)9-11-26/h5-7H,4,8-13H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyPXHRBVSOWHVGGI-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

2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol
CID 17228638
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
4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 17228617
methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate
CID 17228548
6-ethoxy-4-methyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 3695177
1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 16584499
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
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
N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine
CID 17228652
N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine
CID 17121800
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 8-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 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) is 8-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 8-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 8-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is CCOc1cccc2c(C)nc(NC3=NCN(N4CCN(C)CC4)CN3)nc12.
What is the InChIKey of 8-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 PXHRBVSOWHVGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O/c1-4-28-16-7-5-6-15-14(2)22-19(23-17(15)16)24-18-20-12-27(13-21-18)26-10-8-25(3)9-11-26/h5-7H,4,8-13H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 8-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
8-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 8-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 17228645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).