4-prop-1-en-2-ylpyrimidine

C7H8N2 — CID 58549974

IUPAC4-prop-1-en-2-ylpyrimidine
SMILESC=C(C)c1ccncn1
InChIInChI=1S/C7H8N2/c1-6(2)7-3-4-8-5-9-7/h3-5H,1H2,2H3
InChIKeySJRDHZISBFZVJG-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.51
Rot. Bonds1

About 4-prop-1-en-2-ylpyrimidine

4-prop-1-en-2-ylpyrimidine (PubChem CID 58549974) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4-prop-1-en-2-ylpyrimidine.

Molecular Properties

Compound Name4-prop-1-en-2-ylpyrimidine
PubChem CID58549974
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name4-prop-1-en-2-ylpyrimidine
SMILESC=C(C)c1ccncn1
InChIInChI=1S/C7H8N2/c1-6(2)7-3-4-8-5-9-7/h3-5H,1H2,2H3
InChIKeySJRDHZISBFZVJG-UHFFFAOYSA-N
XLogP1.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenylpyrimidine
CID 18923
4-Methylpyrimidine
CID 18922
4-tert-Butylpyrimidin-2-amine
CID 12450631
N-Methyl-N-phenyl-2-pyrimidinamine
CID 817457
4-Tert-butyl-2-chloropyrimidine
CID 12450625
2-Chloro-4-ethenylpyrimidine
CID 45080173
6-(diethylamino)-1-methyl-4-(pyrimidin-4-yl)pyridin-2(1H)-one
CID 53326306
Ethenamine, N,N-dimethyl-2-(4-pyrimidinyl)-
CID 6433770
2-(Pyrimidin-4-yl)acetonitrile
CID 14169572
4-Cyclopropylpyrimidin-2-amine
CID 3299593
2-Chloro-4-ethylpyrimidine
CID 15783026
5-[2-(Dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 164627287

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-ylpyrimidine?
The IUPAC name of 4-prop-1-en-2-ylpyrimidine (CID 58549974) is 4-prop-1-en-2-ylpyrimidine.
What is the SMILES notation for 4-prop-1-en-2-ylpyrimidine?
The canonical SMILES for 4-prop-1-en-2-ylpyrimidine is C=C(C)c1ccncn1.
What is the InChIKey of 4-prop-1-en-2-ylpyrimidine?
The InChIKey is SJRDHZISBFZVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6(2)7-3-4-8-5-9-7/h3-5H,1H2,2H3.
What are the key properties of 4-prop-1-en-2-ylpyrimidine?
4-prop-1-en-2-ylpyrimidine has a molecular weight of 120.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-ylpyrimidine is sourced from PubChem (CID 58549974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).