4-butyl-6-phenylpyrimidine

C14H16N2 — CID 71620017

IUPAC4-butyl-6-phenylpyrimidine
SMILESCCCCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C14H16N2/c1-2-3-9-13-10-14(16-11-15-13)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3
InChIKeyPBEMPWWBVZGPCR-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.49
Rot. Bonds4

About 4-butyl-6-phenylpyrimidine

4-butyl-6-phenylpyrimidine (PubChem CID 71620017) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-butyl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-butyl-6-phenylpyrimidine
PubChem CID71620017
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-butyl-6-phenylpyrimidine
SMILESCCCCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C14H16N2/c1-2-3-9-13-10-14(16-11-15-13)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3
InChIKeyPBEMPWWBVZGPCR-UHFFFAOYSA-N
XLogP3.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-6-propylpyrimidine
CID 13153439
4-butyl-2-methyl-6-phenylpyrimidine
CID 71620016
4,6-diphenylpyrimidine;iridium(3+)
CID 160559843
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522
4,6-dihexadecylpyrimidine
CID 91309058
(4-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140738941
4-butyl-3-chloro-6-phenylpyridazine
CID 140576046
4-fluoro-6-phenylpyrimidine
CID 599976
2-pentylquinolin-4-amine
CID 14082309
2-(6-pyridin-4-ylpyrimidin-4-yl)ethanamine
CID 83847964
benzene;3-pentylisoquinoline
CID 175224692

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-phenylpyrimidine?
The IUPAC name of 4-butyl-6-phenylpyrimidine (CID 71620017) is 4-butyl-6-phenylpyrimidine.
What is the SMILES notation for 4-butyl-6-phenylpyrimidine?
The canonical SMILES for 4-butyl-6-phenylpyrimidine is CCCCc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 4-butyl-6-phenylpyrimidine?
The InChIKey is PBEMPWWBVZGPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-3-9-13-10-14(16-11-15-13)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3.
What are the key properties of 4-butyl-6-phenylpyrimidine?
4-butyl-6-phenylpyrimidine has a molecular weight of 212.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-phenylpyrimidine is sourced from PubChem (CID 71620017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).