2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine

C11H15N7O — CID 141138700

IUPAC2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCOc1nccc(N2CCCC(c3nn[nH]n3)C2)n1
InChIInChI=1S/C11H15N7O/c1-19-11-12-5-4-9(13-11)18-6-2-3-8(7-18)10-14-16-17-15-10/h4-5,8H,2-3,6-7H2,1H3,(H,14,15,16,17)
InChIKeyBZQIGUDJCDTYKX-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.38
Rot. Bonds3

About 2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine

2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 141138700) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID141138700
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCOc1nccc(N2CCCC(c3nn[nH]n3)C2)n1
InChIInChI=1S/C11H15N7O/c1-19-11-12-5-4-9(13-11)18-6-2-3-8(7-18)10-14-16-17-15-10/h4-5,8H,2-3,6-7H2,1H3,(H,14,15,16,17)
InChIKeyBZQIGUDJCDTYKX-UHFFFAOYSA-N
XLogP0.38
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3aR,6aS)-2-(2-methoxypyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 167026643
3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
CID 86784826
6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
CID 86795055
1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 118190332
1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine
CID 122643476
4-[[[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-methylamino]methyl]benzonitrile
CID 118190217
N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 95824516
N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 125011669
4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine
CID 123680686
4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine
CID 171701040
(3S)-1-[2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95121742
S-(4-fluorophenyl) N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamothioate
CID 118191153

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine (CID 141138700) is 2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine is COc1nccc(N2CCCC(c3nn[nH]n3)C2)n1.
What is the InChIKey of 2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is BZQIGUDJCDTYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-19-11-12-5-4-9(13-11)18-6-2-3-8(7-18)10-14-16-17-15-10/h4-5,8H,2-3,6-7H2,1H3,(H,14,15,16,17).
What are the key properties of 2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine has a molecular weight of 261.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 141138700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).