[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C44H57N15O7 — CID 161346515

About [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 161346515) has the molecular formula C44H57N15O7 and a molecular weight of 908.04 g/mol. Its IUPAC name is [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 161346515
• Molecular Formula: C44H57N15O7
• Molecular Weight: 908.04 g/mol
• Exact Mass: 907.46
• IUPAC Name: [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: COCc1c(C)nc(N)n2nc(C)nc12.COCc1c(C)nc(NCc2ccc(OC)c(OC)c2)n2nc(C)nc12.COc1ccc(CNc2nc(C)c(CO)c3nc(C)nn23)cc1OC
• InChI: InChI=1S/C18H23N5O3.C17H21N5O3.C9H13N5O/c1-11-14(10-24-3)17-21-12(2)22-23(17)18(20-11)19-9-13-6-7-15(25-4)16(8-13)26-5;1-10-13(9-23)16-20-11(2)21-22(16)17(19-10)18-8-12-5-6-14(24-3)15(7-12)25-4;1-5-7(4-15-3)8-12-6(2)13-14(8)9(10)11-5/h6-8H,9-10H2,1-5H3,(H,19,20);5-7,23H,8-9H2,1-4H3,(H,18,19);4H2,1-3H3,(H2,10,11)
• InChIKey: VNJDSRWNOBSXRX-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 254.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.04
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 161346515) is [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COCc1c(C)nc(N)n2nc(C)nc12.COCc1c(C)nc(NCc2ccc(OC)c(OC)c2)n2nc(C)nc12.COc1ccc(CNc2nc(C)c(CO)c3nc(C)nn23)cc1OC.

What is the InChIKey of [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is VNJDSRWNOBSXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.C17H21N5O3.C9H13N5O/c1-11-14(10-24-3)17-21-12(2)22-23(17)18(20-11)19-9-13-6-7-15(25-4)16(8-13)26-5;1-10-13(9-23)16-20-11(2)21-22(16)17(19-10)18-8-12-5-6-14(24-3)15(7-12)25-4;1-5-7(4-15-3)8-12-6(2)13-14(8)9(10)11-5/h6-8H,9-10H2,1-5H3,(H,19,20);5-7,23H,8-9H2,1-4H3,(H,18,19);4H2,1-3H3,(H2,10,11).

What are the key properties of [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 908.04 g/mol, XLogP of 4.85, 15 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(methoxymethyl)-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 161346515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).