4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine

C7H8N6 — CID 127011758

IUPAC4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine
SMILESCc1ccnc(-n2nnnc2C)n1
InChIInChI=1S/C7H8N6/c1-5-3-4-8-7(9-5)13-6(2)10-11-12-13/h3-4H,1-2H3
InChIKeyVOIUPFDPWIVUBR-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.07
Rot. Bonds1

About 4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine

4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine (PubChem CID 127011758) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine
PubChem CID127011758
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine
SMILESCc1ccnc(-n2nnnc2C)n1
InChIInChI=1S/C7H8N6/c1-5-3-4-8-7(9-5)13-6(2)10-11-12-13/h3-4H,1-2H3
InChIKeyVOIUPFDPWIVUBR-UHFFFAOYSA-N
XLogP0.07
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine
CID 118953652
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
4-methyl-2-(4-methylimidazol-1-yl)pyrimidine
CID 21025903
1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine
CID 62958748
2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
CID 79754202
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
1-(4-methylpyrimidin-2-yl)azetidin-3-ol
CID 63283961
ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine
CID 144804370
2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine
CID 130508307
5-methyl-1-(2,4,6-trimethylphenyl)tetrazole
CID 91441671
4-methyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 131025799
4-[6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 146079475

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine (CID 127011758) is 4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine is Cc1ccnc(-n2nnnc2C)n1.
What is the InChIKey of 4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine?
The InChIKey is VOIUPFDPWIVUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c1-5-3-4-8-7(9-5)13-6(2)10-11-12-13/h3-4H,1-2H3.
What are the key properties of 4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine?
4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine has a molecular weight of 176.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine is sourced from PubChem (CID 127011758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).