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

C18H26N8O — CID 17228591

IUPAC6-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCOc1ccc2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2c1
InChIInChI=1S/C18H26N8O/c1-13-15-10-14(27-3)4-5-16(15)22-18(21-13)23-17-19-11-26(12-20-17)25-8-6-24(2)7-9-25/h4-5,10H,6-9,11-12H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyDHUPRZKNFCVGFQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.70
Rot. Bonds3

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

6-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (PubChem CID 17228591) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-methoxy-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-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
PubChem CID17228591
Molecular FormulaC18H26N8O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC Name6-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCOc1ccc2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2c1
InChIInChI=1S/C18H26N8O/c1-13-15-10-14(27-3)4-5-16(15)22-18(21-13)23-17-19-11-26(12-20-17)25-8-6-24(2)7-9-25/h4-5,10H,6-9,11-12H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyDHUPRZKNFCVGFQ-UHFFFAOYSA-N
XLogP0.70
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine
CID 3754318
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
4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 655606
N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine
CID 17121800
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
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
N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine
CID 944281
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135435517

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-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-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (CID 17228591) is 6-methoxy-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-methoxy-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-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is COc1ccc2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2c1.
What is the InChIKey of 6-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The InChIKey is DHUPRZKNFCVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O/c1-13-15-10-14(27-3)4-5-16(15)22-18(21-13)23-17-19-11-26(12-20-17)25-8-6-24(2)7-9-25/h4-5,10H,6-9,11-12H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 6-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
6-methoxy-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 370.46 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-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 17228591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).