1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine

C7H13N7 — CID 130884716

IUPAC1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCc1nn[nH]n1
InChIInChI=1S/C7H13N7/c1-14-4-2-3-8-7(14)9-5-6-10-12-13-11-6/h2-5H2,1H3,(H,8,9)(H,10,11,12,13)
InChIKeyYEKXSMKMVKVEQF-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.02
Rot. Bonds2

About 1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 130884716) has the molecular formula C7H13N7 and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID130884716
Molecular FormulaC7H13N7
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCc1nn[nH]n1
InChIInChI=1S/C7H13N7/c1-14-4-2-3-8-7(14)9-5-6-10-12-13-11-6/h2-5H2,1H3,(H,8,9)(H,10,11,12,13)
InChIKeyYEKXSMKMVKVEQF-UHFFFAOYSA-N
XLogP-1.02
TPSA82.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine (CID 130884716) is 1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1NCc1nn[nH]n1.
What is the InChIKey of 1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is YEKXSMKMVKVEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N7/c1-14-4-2-3-8-7(14)9-5-6-10-12-13-11-6/h2-5H2,1H3,(H,8,9)(H,10,11,12,13).
What are the key properties of 1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 195.23 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 130884716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).