5-prop-1-en-2-ylpyrimidine-2-carboximidamide

C8H10N4 — CID 146660260

IUPAC5-prop-1-en-2-ylpyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc(C(=C)C)cn1
InChIInChI=1S/C8H10N4/c1-5(2)6-3-11-8(7(9)10)12-4-6/h3-4H,1H2,2H3,(H3,9,10)
InChIKeyRMMOQKGIILEFHV-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.79
Rot. Bonds2

About 5-prop-1-en-2-ylpyrimidine-2-carboximidamide

5-prop-1-en-2-ylpyrimidine-2-carboximidamide (PubChem CID 146660260) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5-prop-1-en-2-ylpyrimidine-2-carboximidamide.

Molecular Properties

Compound Name5-prop-1-en-2-ylpyrimidine-2-carboximidamide
PubChem CID146660260
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name5-prop-1-en-2-ylpyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc(C(=C)C)cn1
InChIInChI=1S/C8H10N4/c1-5(2)6-3-11-8(7(9)10)12-4-6/h3-4H,1H2,2H3,(H3,9,10)
InChIKeyRMMOQKGIILEFHV-UHFFFAOYSA-N
XLogP0.79
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-aminopyrimidine-5-carboximidamide
CID 45080078
acetic acid;1,3,5-triazine-2-carboximidamide
CID 18358920
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide
CID 164792579
molecular hydrogen;4-[6-(4-prop-1-en-2-ylphenoxy)hexoxy]benzenecarboximidamide
CID 158279595
2,3-dimethylimidazo[4,5-b]pyridine-6-carboximidamide
CID 83877151
6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide
CID 172623035
5-bromo-6-methylpyridine-3-carboximidamide
CID 83886236
2-pyrrolidin-1-ylpyrimidine-5-carboximidamide
CID 83877819
ethane;6-methylquinazoline-2-carboximidamide
CID 172623100
2-prop-1-en-2-yl-3H-imidazo[4,5-c]pyridine-6-carboximidamide
CID 86724602
6-(propan-2-ylamino)pyridine-3-carboximidamide
CID 62199546

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-ylpyrimidine-2-carboximidamide?
The IUPAC name of 5-prop-1-en-2-ylpyrimidine-2-carboximidamide (CID 146660260) is 5-prop-1-en-2-ylpyrimidine-2-carboximidamide.
What is the SMILES notation for 5-prop-1-en-2-ylpyrimidine-2-carboximidamide?
The canonical SMILES for 5-prop-1-en-2-ylpyrimidine-2-carboximidamide is [H]/N=C(\N)c1ncc(C(=C)C)cn1.
What is the InChIKey of 5-prop-1-en-2-ylpyrimidine-2-carboximidamide?
The InChIKey is RMMOQKGIILEFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5(2)6-3-11-8(7(9)10)12-4-6/h3-4H,1H2,2H3,(H3,9,10).
What are the key properties of 5-prop-1-en-2-ylpyrimidine-2-carboximidamide?
5-prop-1-en-2-ylpyrimidine-2-carboximidamide has a molecular weight of 162.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-ylpyrimidine-2-carboximidamide is sourced from PubChem (CID 146660260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).