5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one

C10H11BrN4O — CID 82875941

IUPAC5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
SMILESCc1ncn(Cc2ccn(C)n2)c(=O)c1Br
InChIInChI=1S/C10H11BrN4O/c1-7-9(11)10(16)15(6-12-7)5-8-3-4-14(2)13-8/h3-4,6H,5H2,1-2H3
InChIKeyMQKXXJMDNAATPP-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.10
Rot. Bonds2

About 5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one

5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one (PubChem CID 82875941) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
PubChem CID82875941
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
SMILESCc1ncn(Cc2ccn(C)n2)c(=O)c1Br
InChIInChI=1S/C10H11BrN4O/c1-7-9(11)10(16)15(6-12-7)5-8-3-4-14(2)13-8/h3-4,6H,5H2,1-2H3
InChIKeyMQKXXJMDNAATPP-UHFFFAOYSA-N
XLogP1.10
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one (CID 82875941) is 5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one is Cc1ncn(Cc2ccn(C)n2)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
The InChIKey is MQKXXJMDNAATPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-7-9(11)10(16)15(6-12-7)5-8-3-4-14(2)13-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one has a molecular weight of 283.13 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 82875941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).