4-prop-1-en-2-ylpyrimidin-5-amine

C7H9N3 — CID 122706949

IUPAC4-prop-1-en-2-ylpyrimidin-5-amine
SMILESC=C(C)c1ncncc1N
InChIInChI=1S/C7H9N3/c1-5(2)7-6(8)3-9-4-10-7/h3-4H,1,8H2,2H3
InChIKeyBZLSZJUTCRVCKS-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.09
Rot. Bonds1

About 4-prop-1-en-2-ylpyrimidin-5-amine

4-prop-1-en-2-ylpyrimidin-5-amine (PubChem CID 122706949) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 4-prop-1-en-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-prop-1-en-2-ylpyrimidin-5-amine
PubChem CID122706949
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name4-prop-1-en-2-ylpyrimidin-5-amine
SMILESC=C(C)c1ncncc1N
InChIInChI=1S/C7H9N3/c1-5(2)7-6(8)3-9-4-10-7/h3-4H,1,8H2,2H3
InChIKeyBZLSZJUTCRVCKS-UHFFFAOYSA-N
XLogP1.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-ylpyrimidin-5-amine?
The IUPAC name of 4-prop-1-en-2-ylpyrimidin-5-amine (CID 122706949) is 4-prop-1-en-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-prop-1-en-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-prop-1-en-2-ylpyrimidin-5-amine is C=C(C)c1ncncc1N.
What is the InChIKey of 4-prop-1-en-2-ylpyrimidin-5-amine?
The InChIKey is BZLSZJUTCRVCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-5(2)7-6(8)3-9-4-10-7/h3-4H,1,8H2,2H3.
What are the key properties of 4-prop-1-en-2-ylpyrimidin-5-amine?
4-prop-1-en-2-ylpyrimidin-5-amine has a molecular weight of 135.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-ylpyrimidin-5-amine is sourced from PubChem (CID 122706949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).