5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine

C12H16BrN5 — CID 143967158

IUPAC5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCc1ncc(Br)c(NCCCc2cn[nH]c2C)n1
InChIInChI=1S/C12H16BrN5/c1-8-10(6-16-18-8)4-3-5-14-12-11(13)7-15-9(2)17-12/h6-7H,3-5H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyBBBKTLFBMDYANJ-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.62
Rot. Bonds5

About 5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine

5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine (PubChem CID 143967158) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
PubChem CID143967158
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCc1ncc(Br)c(NCCCc2cn[nH]c2C)n1
InChIInChI=1S/C12H16BrN5/c1-8-10(6-16-18-8)4-3-5-14-12-11(13)7-15-9(2)17-12/h6-7H,3-5H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyBBBKTLFBMDYANJ-UHFFFAOYSA-N
XLogP2.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine (CID 143967158) is 5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine is Cc1ncc(Br)c(NCCCc2cn[nH]c2C)n1.
What is the InChIKey of 5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
The InChIKey is BBBKTLFBMDYANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-8-10(6-16-18-8)4-3-5-14-12-11(13)7-15-9(2)17-12/h6-7H,3-5H2,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of 5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine has a molecular weight of 310.20 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 143967158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).