2-benzyl-5-propan-2-ylpyrimidine

C14H16N2 — CID 58170294

IUPAC2-benzyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1cnc(Cc2ccccc2)nc1
InChIInChI=1S/C14H16N2/c1-11(2)13-9-15-14(16-10-13)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3
InChIKeyANPTZYXCHGVQAF-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.19
Rot. Bonds3

About 2-benzyl-5-propan-2-ylpyrimidine

2-benzyl-5-propan-2-ylpyrimidine (PubChem CID 58170294) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-benzyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-benzyl-5-propan-2-ylpyrimidine
PubChem CID58170294
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-benzyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1cnc(Cc2ccccc2)nc1
InChIInChI=1S/C14H16N2/c1-11(2)13-9-15-14(16-10-13)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3
InChIKeyANPTZYXCHGVQAF-UHFFFAOYSA-N
XLogP3.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tripelennamine
CID 5587
4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-(4-Chlorophenyl)-4-pyrimidinamine
CID 2735804
5-(Phenylethynyl)pyrimidine
CID 4074142
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070582
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-propan-2-ylpyrimidine?
The IUPAC name of 2-benzyl-5-propan-2-ylpyrimidine (CID 58170294) is 2-benzyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-benzyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-benzyl-5-propan-2-ylpyrimidine is CC(C)c1cnc(Cc2ccccc2)nc1.
What is the InChIKey of 2-benzyl-5-propan-2-ylpyrimidine?
The InChIKey is ANPTZYXCHGVQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11(2)13-9-15-14(16-10-13)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 2-benzyl-5-propan-2-ylpyrimidine?
2-benzyl-5-propan-2-ylpyrimidine has a molecular weight of 212.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 58170294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).