N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine

C20H28N6O2 — CID 10833915

IUPACN,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1
InChIInChI=1S/C20H28N6O2/c1-14(2)16-6-8-17(9-7-16)26-20-18(23-24-26)19(21-15(3)22-20)25(10-12-27-4)11-13-28-5/h6-9,14H,10-13H2,1-5H3
InChIKeyUVJQOYWVZURRCR-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.74
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine

N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 10833915) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID10833915
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1
InChIInChI=1S/C20H28N6O2/c1-14(2)16-6-8-17(9-7-16)26-20-18(23-24-26)19(21-15(3)22-20)25(10-12-27-4)11-13-28-5/h6-9,14H,10-13H2,1-5H3
InChIKeyUVJQOYWVZURRCR-UHFFFAOYSA-N
XLogP2.74
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine (CID 10833915) is N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine is COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is UVJQOYWVZURRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14(2)16-6-8-17(9-7-16)26-20-18(23-24-26)19(21-15(3)22-20)25(10-12-27-4)11-13-28-5/h6-9,14H,10-13H2,1-5H3.
What are the key properties of N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 384.48 g/mol, XLogP of 2.74, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-5-methyl-3-(4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 10833915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).