2,5-dimethyl-4-prop-2-enylpyrimidine

C9H12N2 — CID 143838580

IUPAC2,5-dimethyl-4-prop-2-enylpyrimidine
SMILESC=CCc1nc(C)ncc1C
InChIInChI=1S/C9H12N2/c1-4-5-9-7(2)6-10-8(3)11-9/h4,6H,1,5H2,2-3H3
InChIKeyQPKGJKYKWNXMEA-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.82
Rot. Bonds2

About 2,5-dimethyl-4-prop-2-enylpyrimidine

2,5-dimethyl-4-prop-2-enylpyrimidine (PubChem CID 143838580) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,5-dimethyl-4-prop-2-enylpyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-4-prop-2-enylpyrimidine
PubChem CID143838580
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,5-dimethyl-4-prop-2-enylpyrimidine
SMILESC=CCc1nc(C)ncc1C
InChIInChI=1S/C9H12N2/c1-4-5-9-7(2)6-10-8(3)11-9/h4,6H,1,5H2,2-3H3
InChIKeyQPKGJKYKWNXMEA-UHFFFAOYSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethylpyrimidin-4-yl)methanol
CID 58143239
2,5-dimethyl-4-(4-methylpentyl)pyrimidine
CID 58281699
3-methyl-2-prop-2-enylpyridine
CID 18185591
2,5-dimethyl-4-propan-2-ylpyrimidine
CID 58806234
2,4-diethyl-5-methylpyrimidine
CID 59174285
2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine
CID 122595292
5-bromo-4-ethyl-2-methylpyrimidine;ethane
CID 162730245
5-methyl-2,4-bis(prop-2-enoxy)pyrimidine
CID 121218190
(5-bromo-2-methylpyrimidin-4-yl)methanamine
CID 82506310
5-bromo-4-prop-2-enylpyrimidine
CID 119085370
2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine
CID 151683415
2-methyl-3,5-bis(prop-2-enyl)pyridine
CID 67653617

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-prop-2-enylpyrimidine?
The IUPAC name of 2,5-dimethyl-4-prop-2-enylpyrimidine (CID 143838580) is 2,5-dimethyl-4-prop-2-enylpyrimidine.
What is the SMILES notation for 2,5-dimethyl-4-prop-2-enylpyrimidine?
The canonical SMILES for 2,5-dimethyl-4-prop-2-enylpyrimidine is C=CCc1nc(C)ncc1C.
What is the InChIKey of 2,5-dimethyl-4-prop-2-enylpyrimidine?
The InChIKey is QPKGJKYKWNXMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-5-9-7(2)6-10-8(3)11-9/h4,6H,1,5H2,2-3H3.
What are the key properties of 2,5-dimethyl-4-prop-2-enylpyrimidine?
2,5-dimethyl-4-prop-2-enylpyrimidine has a molecular weight of 148.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-prop-2-enylpyrimidine is sourced from PubChem (CID 143838580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).