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

C6H5ClN6 — CID 118953652

IUPAC2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine
SMILESCc1nnnn1-c1ccnc(Cl)n1
InChIInChI=1S/C6H5ClN6/c1-4-10-11-12-13(4)5-2-3-8-6(7)9-5/h2-3H,1H3
InChIKeyPGKGTGAULGRBFB-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.41
Rot. Bonds1

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

2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine (PubChem CID 118953652) has the molecular formula C6H5ClN6 and a molecular weight of 196.60 g/mol. Its IUPAC name is 2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine
PubChem CID118953652
Molecular FormulaC6H5ClN6
Molecular Weight196.60 g/mol
Exact Mass196.03
IUPAC Name2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine
SMILESCc1nnnn1-c1ccnc(Cl)n1
InChIInChI=1S/C6H5ClN6/c1-4-10-11-12-13(4)5-2-3-8-6(7)9-5/h2-3H,1H3
InChIKeyPGKGTGAULGRBFB-UHFFFAOYSA-N
XLogP0.41
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(5-methyltetrazol-1-yl)pyrimidine
CID 127011758
1-methyl-6-(5-methyltetrazol-1-yl)pyrrolo[2,3-b]pyridine
CID 139339433
1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
CID 58979572
1-(2-chloropyrimidin-4-yl)indazole
CID 62343876
1-(2-chloropyrimidin-4-yl)-6-methylpyrazolo[4,3-c]pyridin-3-amine
CID 137380679
3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine
CID 137376251
2-chloro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 60726872
1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one
CID 130469670
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
1-(2-chloropyrimidin-4-yl)pyrazolo[4,3-b]pyridin-3-amine
CID 130206179
1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 62343451

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine (CID 118953652) is 2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine is Cc1nnnn1-c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine?
The InChIKey is PGKGTGAULGRBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN6/c1-4-10-11-12-13(4)5-2-3-8-6(7)9-5/h2-3H,1H3.
What are the key properties of 2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine?
2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine has a molecular weight of 196.60 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine is sourced from PubChem (CID 118953652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).