5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one

C8H9BrN6O — CID 107052028

IUPAC5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
SMILESCc1ncn(Cc2nnn(C)n2)c(=O)c1Br
InChIInChI=1S/C8H9BrN6O/c1-5-7(9)8(16)15(4-10-5)3-6-11-13-14(2)12-6/h4H,3H2,1-2H3
InChIKeyZKGOTGGPBBBHJC-UHFFFAOYSA-N
MW285.11 g/mol
LogP-0.11
Rot. Bonds2

About 5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one

5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one (PubChem CID 107052028) has the molecular formula C8H9BrN6O and a molecular weight of 285.11 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
PubChem CID107052028
Molecular FormulaC8H9BrN6O
Molecular Weight285.11 g/mol
Exact Mass284.00
IUPAC Name5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
SMILESCc1ncn(Cc2nnn(C)n2)c(=O)c1Br
InChIInChI=1S/C8H9BrN6O/c1-5-7(9)8(16)15(4-10-5)3-6-11-13-14(2)12-6/h4H,3H2,1-2H3
InChIKeyZKGOTGGPBBBHJC-UHFFFAOYSA-N
XLogP-0.11
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-3-(2-bromoethyl)-6-methylpyrimidin-4-one
CID 66310232
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
6-chloro-5-methoxy-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
CID 107052078
5-bromo-3-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309605
5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one
CID 66311093
5-bromo-3-[(5-bromothiophen-2-yl)methyl]-6-methylpyrimidin-4-one
CID 66309812
6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one
CID 107042807
5-bromo-3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one
CID 66308116
5-bromo-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-6-methylpyrimidin-4-one
CID 80654435
5-bromo-6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one
CID 66310691
5-bromo-3-(2-cyclopropylethyl)-6-methylpyrimidin-4-one
CID 66307921
5-bromo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608564

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one (CID 107052028) is 5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one is Cc1ncn(Cc2nnn(C)n2)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one?
The InChIKey is ZKGOTGGPBBBHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN6O/c1-5-7(9)8(16)15(4-10-5)3-6-11-13-14(2)12-6/h4H,3H2,1-2H3.
What are the key properties of 5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one?
5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one has a molecular weight of 285.11 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 107052028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).