4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine

C10H11BrClN5 — CID 114044042

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine
SMILESCc1nc(Cl)nc(-n2nc(C)c(Br)c2C)c1N
InChIInChI=1S/C10H11BrClN5/c1-4-7(11)6(3)17(16-4)9-8(13)5(2)14-10(12)15-9/h13H2,1-3H3
InChIKeyHAWSOCUILGIHOH-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.59
Rot. Bonds1

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine (PubChem CID 114044042) has the molecular formula C10H11BrClN5 and a molecular weight of 316.59 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine
PubChem CID114044042
Molecular FormulaC10H11BrClN5
Molecular Weight316.59 g/mol
Exact Mass314.99
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine
SMILESCc1nc(Cl)nc(-n2nc(C)c(Br)c2C)c1N
InChIInChI=1S/C10H11BrClN5/c1-4-7(11)6(3)17(16-4)9-8(13)5(2)14-10(12)15-9/h13H2,1-3H3
InChIKeyHAWSOCUILGIHOH-UHFFFAOYSA-N
XLogP2.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine (CID 114044042) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine is Cc1nc(Cl)nc(-n2nc(C)c(Br)c2C)c1N.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine?
The InChIKey is HAWSOCUILGIHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN5/c1-4-7(11)6(3)17(16-4)9-8(13)5(2)14-10(12)15-9/h13H2,1-3H3.
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine has a molecular weight of 316.59 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine is sourced from PubChem (CID 114044042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).