5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine

C12H10ClN7 — CID 2825835

IUPAC5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN7/c1-7-10(6-15-12(14)16-7)11-17-18-19-20(11)9-4-2-8(13)3-5-9/h2-6H,1H3,(H2,14,15,16)
InChIKeyLCTAIOSSXUONCO-UHFFFAOYSA-N
MW287.71 g/mol
LogP1.66
Rot. Bonds2

About 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine

5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine (PubChem CID 2825835) has the molecular formula C12H10ClN7 and a molecular weight of 287.71 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine
PubChem CID2825835
Molecular FormulaC12H10ClN7
Molecular Weight287.71 g/mol
Exact Mass287.07
IUPAC Name5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN7/c1-7-10(6-15-12(14)16-7)11-17-18-19-20(11)9-4-2-8(13)3-5-9/h2-6H,1H3,(H2,14,15,16)
InChIKeyLCTAIOSSXUONCO-UHFFFAOYSA-N
XLogP1.66
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine
CID 2825682
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61354046
5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 2825873
5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 3610610
5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine
CID 15123640
5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(3-fluorophenyl)-N-methylpyrimidin-2-amine
CID 27001624
(3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine
CID 27235635
5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile
CID 69460237
[1-(4-chlorophenyl)tetrazol-5-yl]hydrazine
CID 131053219
1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
CID 2799603
[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228170
1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole
CID 736210

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine?
The IUPAC name of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine (CID 2825835) is 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine is Cc1nc(N)ncc1-c1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine?
The InChIKey is LCTAIOSSXUONCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN7/c1-7-10(6-15-12(14)16-7)11-17-18-19-20(11)9-4-2-8(13)3-5-9/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine?
5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine has a molecular weight of 287.71 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 2825835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).