4-butyl-5,6-dimethyl-2-phenylpyrimidine

C16H20N2 — CID 138967628

IUPAC4-butyl-5,6-dimethyl-2-phenylpyrimidine
SMILESCCCCc1nc(-c2ccccc2)nc(C)c1C
InChIInChI=1S/C16H20N2/c1-4-5-11-15-12(2)13(3)17-16(18-15)14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3
InChIKeyMIHHCSFDODAVMG-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.10
Rot. Bonds4

About 4-butyl-5,6-dimethyl-2-phenylpyrimidine

4-butyl-5,6-dimethyl-2-phenylpyrimidine (PubChem CID 138967628) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-butyl-5,6-dimethyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-butyl-5,6-dimethyl-2-phenylpyrimidine
PubChem CID138967628
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-butyl-5,6-dimethyl-2-phenylpyrimidine
SMILESCCCCc1nc(-c2ccccc2)nc(C)c1C
InChIInChI=1S/C16H20N2/c1-4-5-11-15-12(2)13(3)17-16(18-15)14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3
InChIKeyMIHHCSFDODAVMG-UHFFFAOYSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
4-pentyl-2-phenylquinazoline
CID 122226497
4-chloro-6-hexyl-5-pentyl-2-phenylpyrimidine
CID 10712514
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine
CID 12063039
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine
CID 28916529
4-butyl-2-phenyl-1,3-thiazol-5-amine
CID 62077156
2,3-dibutylquinoxaline
CID 14641798
2-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041
3,4-dibutyl-1-methylisoquinoline
CID 71619287
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62746667
5-benzyl-4-methyl-6-pentylsulfanyl-2-phenylpyrimidine
CID 27351081

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5,6-dimethyl-2-phenylpyrimidine?
The IUPAC name of 4-butyl-5,6-dimethyl-2-phenylpyrimidine (CID 138967628) is 4-butyl-5,6-dimethyl-2-phenylpyrimidine.
What is the SMILES notation for 4-butyl-5,6-dimethyl-2-phenylpyrimidine?
The canonical SMILES for 4-butyl-5,6-dimethyl-2-phenylpyrimidine is CCCCc1nc(-c2ccccc2)nc(C)c1C.
What is the InChIKey of 4-butyl-5,6-dimethyl-2-phenylpyrimidine?
The InChIKey is MIHHCSFDODAVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-5-11-15-12(2)13(3)17-16(18-15)14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 4-butyl-5,6-dimethyl-2-phenylpyrimidine?
4-butyl-5,6-dimethyl-2-phenylpyrimidine has a molecular weight of 240.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5,6-dimethyl-2-phenylpyrimidine is sourced from PubChem (CID 138967628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).