5-(4-methylphenyl)pyrimidine;propane

C14H18N2 — CID 145118133

IUPAC5-(4-methylphenyl)pyrimidine;propane
SMILESCCC.Cc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C11H10N2.C3H8/c1-9-2-4-10(5-3-9)11-6-12-8-13-7-11;1-3-2/h2-8H,1H3;3H2,1-2H3
InChIKeyANYJHTVZHMPSQD-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.87
Rot. Bonds1

About 5-(4-methylphenyl)pyrimidine;propane

5-(4-methylphenyl)pyrimidine;propane (PubChem CID 145118133) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(4-methylphenyl)pyrimidine;propane.

Molecular Properties

Compound Name5-(4-methylphenyl)pyrimidine;propane
PubChem CID145118133
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-(4-methylphenyl)pyrimidine;propane
SMILESCCC.Cc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C11H10N2.C3H8/c1-9-2-4-10(5-3-9)11-6-12-8-13-7-11;1-3-2/h2-8H,1H3;3H2,1-2H3
InChIKeyANYJHTVZHMPSQD-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-propylphenyl)pyrimidine
CID 89220429
5-(4-phenoxyphenyl)pyrimidine;propane
CID 153341834
ethyl 4-pyrimidin-5-ylbenzoate
CID 12946641
5-(4-pentylphenyl)pyrimidine
CID 56629303
5-[4-(2-methylphenyl)phenyl]pyrimidine
CID 146397515
5-(6-methyl-3-pyridinyl)pyrimidine
CID 88985866
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264
3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine
CID 118348407
2-ethyl-5-pyrimidin-5-ylaniline
CID 165490184
molecular hydrogen;propane;1,4-xylene
CID 170763925
5-[2-(4-methylphenyl)ethynyl]pyrimidine
CID 44593410

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)pyrimidine;propane?
The IUPAC name of 5-(4-methylphenyl)pyrimidine;propane (CID 145118133) is 5-(4-methylphenyl)pyrimidine;propane.
What is the SMILES notation for 5-(4-methylphenyl)pyrimidine;propane?
The canonical SMILES for 5-(4-methylphenyl)pyrimidine;propane is CCC.Cc1ccc(-c2cncnc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)pyrimidine;propane?
The InChIKey is ANYJHTVZHMPSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2.C3H8/c1-9-2-4-10(5-3-9)11-6-12-8-13-7-11;1-3-2/h2-8H,1H3;3H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)pyrimidine;propane?
5-(4-methylphenyl)pyrimidine;propane has a molecular weight of 214.31 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)pyrimidine;propane is sourced from PubChem (CID 145118133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).