5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine

C11H12BrN5 — CID 80867881

IUPAC5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C11H12BrN5/c1-13-11-14-6-8(12)10(15-11)17-5-4-9(16-17)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyJZKAPXNXJJAJBR-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.34
Rot. Bonds3

About 5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine

5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine (PubChem CID 80867881) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is 5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine
PubChem CID80867881
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC Name5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C11H12BrN5/c1-13-11-14-6-8(12)10(15-11)17-5-4-9(16-17)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyJZKAPXNXJJAJBR-UHFFFAOYSA-N
XLogP2.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine (CID 80867881) is 5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine?
The InChIKey is JZKAPXNXJJAJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c1-13-11-14-6-8(12)10(15-11)17-5-4-9(16-17)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine?
5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine has a molecular weight of 294.16 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80867881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).