5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine

C10H12BrN5O — CID 138008331

IUPAC5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ncc(Br)c(NCCc2ccn[nH]2)n1
InChIInChI=1S/C10H12BrN5O/c1-17-10-13-6-8(11)9(15-10)12-4-2-7-3-5-14-16-7/h3,5-6H,2,4H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyOYUBQDGEQPYEFJ-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.63
Rot. Bonds5

About 5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine

5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 138008331) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID138008331
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ncc(Br)c(NCCc2ccn[nH]2)n1
InChIInChI=1S/C10H12BrN5O/c1-17-10-13-6-8(11)9(15-10)12-4-2-7-3-5-14-16-7/h3,5-6H,2,4H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyOYUBQDGEQPYEFJ-UHFFFAOYSA-N
XLogP1.63
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine (CID 138008331) is 5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine is COc1ncc(Br)c(NCCc2ccn[nH]2)n1.
What is the InChIKey of 5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is OYUBQDGEQPYEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-17-10-13-6-8(11)9(15-10)12-4-2-7-3-5-14-16-7/h3,5-6H,2,4H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of 5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine?
5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 298.14 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 138008331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).