6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine

C18H26N6O2+2 — CID 6965861

IUPAC6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine
SMILESCOc1ccc2nc(NC3=[NH+]C[NH+](C[C@H]4CCCO4)CN3)nc(C)c2c1
InChIInChI=1S/C18H24N6O2/c1-12-15-8-13(25-2)5-6-16(15)22-18(21-12)23-17-19-10-24(11-20-17)9-14-4-3-7-26-14/h5-6,8,14H,3-4,7,9-11H2,1-2H3,(H2,19,20,21,22,23)/p+2/t14-/m1/s1
InChIKeyBDNPTTURBQFPIJ-CQSZACIVSA-P
MW358.45 g/mol
LogP-1.62
Rot. Bonds4

About 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine

6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine (PubChem CID 6965861) has the molecular formula C18H26N6O2+2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine.

Molecular Properties

Compound Name6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine
PubChem CID6965861
Molecular FormulaC18H26N6O2+2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine
SMILESCOc1ccc2nc(NC3=[NH+]C[NH+](C[C@H]4CCCO4)CN3)nc(C)c2c1
InChIInChI=1S/C18H24N6O2/c1-12-15-8-13(25-2)5-6-16(15)22-18(21-12)23-17-19-10-24(11-20-17)9-14-4-3-7-26-14/h5-6,8,14H,3-4,7,9-11H2,1-2H3,(H2,19,20,21,22,23)/p+2/t14-/m1/s1
InChIKeyBDNPTTURBQFPIJ-CQSZACIVSA-P
XLogP-1.62
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine with MolForge

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Related Compounds

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
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135435517
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-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912522
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
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-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
CID 73263282
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645254

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine?
The IUPAC name of 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine (CID 6965861) is 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine.
What is the SMILES notation for 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine?
The canonical SMILES for 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine is COc1ccc2nc(NC3=[NH+]C[NH+](C[C@H]4CCCO4)CN3)nc(C)c2c1.
What is the InChIKey of 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine?
The InChIKey is BDNPTTURBQFPIJ-CQSZACIVSA-P. The full InChI is InChI=1S/C18H24N6O2/c1-12-15-8-13(25-2)5-6-16(15)22-18(21-12)23-17-19-10-24(11-20-17)9-14-4-3-7-26-14/h5-6,8,14H,3-4,7,9-11H2,1-2H3,(H2,19,20,21,22,23)/p+2/t14-/m1/s1.
What are the key properties of 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine?
6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine has a molecular weight of 358.45 g/mol, XLogP of -1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine is sourced from PubChem (CID 6965861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).