2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine

C9H11N5 — CID 131141065

IUPAC2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
SMILESNc1ccnc(CCn2cccn2)n1
InChIInChI=1S/C9H11N5/c10-8-2-5-11-9(13-8)3-7-14-6-1-4-12-14/h1-2,4-6H,3,7H2,(H2,10,11,13)
InChIKeyKCHJSLUWFYZKAI-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.50
Rot. Bonds3

About 2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine

2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine (PubChem CID 131141065) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
PubChem CID131141065
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
SMILESNc1ccnc(CCn2cccn2)n1
InChIInChI=1S/C9H11N5/c10-8-2-5-11-9(13-8)3-7-14-6-1-4-12-14/h1-2,4-6H,3,7H2,(H2,10,11,13)
InChIKeyKCHJSLUWFYZKAI-UHFFFAOYSA-N
XLogP0.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine (CID 131141065) is 2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine is Nc1ccnc(CCn2cccn2)n1.
What is the InChIKey of 2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine?
The InChIKey is KCHJSLUWFYZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-8-2-5-11-9(13-8)3-7-14-6-1-4-12-14/h1-2,4-6H,3,7H2,(H2,10,11,13).
What are the key properties of 2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine?
2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine has a molecular weight of 189.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 131141065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).