5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine

C7H9N7 — CID 63207979

IUPAC5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine
SMILESCc1cnc(NCc2nn[nH]n2)nc1
InChIInChI=1S/C7H9N7/c1-5-2-8-7(9-3-5)10-4-6-11-13-14-12-6/h2-3H,4H2,1H3,(H,8,9,10)(H,11,12,13,14)
InChIKeyXAKBUKCSVMORBW-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.09
Rot. Bonds3

About 5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine

5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine (PubChem CID 63207979) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine
PubChem CID63207979
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine
SMILESCc1cnc(NCc2nn[nH]n2)nc1
InChIInChI=1S/C7H9N7/c1-5-2-8-7(9-3-5)10-4-6-11-13-14-12-6/h2-3H,4H2,1H3,(H,8,9,10)(H,11,12,13,14)
InChIKeyXAKBUKCSVMORBW-UHFFFAOYSA-N
XLogP-0.09
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine (CID 63207979) is 5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine is Cc1cnc(NCc2nn[nH]n2)nc1.
What is the InChIKey of 5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine?
The InChIKey is XAKBUKCSVMORBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c1-5-2-8-7(9-3-5)10-4-6-11-13-14-12-6/h2-3H,4H2,1H3,(H,8,9,10)(H,11,12,13,14).
What are the key properties of 5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine?
5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine has a molecular weight of 191.20 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 63207979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).