N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine

C13H14N6O — CID 750479

IUPACN-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1ccccc1Nc1cc(C)nc2nnnn12
InChIInChI=1S/C13H14N6O/c1-3-20-11-7-5-4-6-10(11)15-12-8-9(2)14-13-16-17-18-19(12)13/h4-8,15H,3H2,1-2H3
InChIKeyWORAWCSLXFCSPE-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.97
Rot. Bonds4

About N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine

N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 750479) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
PubChem CID750479
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1ccccc1Nc1cc(C)nc2nnnn12
InChIInChI=1S/C13H14N6O/c1-3-20-11-7-5-4-6-10(11)15-12-8-9(2)14-13-16-17-18-19(12)13/h4-8,15H,3H2,1-2H3
InChIKeyWORAWCSLXFCSPE-UHFFFAOYSA-N
XLogP1.97
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 56595693
N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71595131
N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 853509
N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 522990
5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1460771
N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263415
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine
CID 658308
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 662572
n3-(2-Methoxy-phenyl)-1-pyridin-2-yl-1h-[1,2,4]triazole-3,5-diamine
CID 56595687
N-(2,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1854652
N-(4-ethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308128
N-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308151

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine (CID 750479) is N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine is CCOc1ccccc1Nc1cc(C)nc2nnnn12.
What is the InChIKey of N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WORAWCSLXFCSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-3-20-11-7-5-4-6-10(11)15-12-8-9(2)14-13-16-17-18-19(12)13/h4-8,15H,3H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 270.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 750479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).