6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine

C13H16N2 — CID 58588586

IUPAC6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine
SMILESCC(C)C1=NCC=C(c2ccccc2)N1
InChIInChI=1S/C13H16N2/c1-10(2)13-14-9-8-12(15-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeyUSBYMDJGTYIEBG-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.69
Rot. Bonds2

About 6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine

6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine (PubChem CID 58588586) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine
PubChem CID58588586
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine
SMILESCC(C)C1=NCC=C(c2ccccc2)N1
InChIInChI=1S/C13H16N2/c1-10(2)13-14-9-8-12(15-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeyUSBYMDJGTYIEBG-UHFFFAOYSA-N
XLogP2.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine?
The IUPAC name of 6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine (CID 58588586) is 6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine?
The canonical SMILES for 6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine is CC(C)C1=NCC=C(c2ccccc2)N1.
What is the InChIKey of 6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine?
The InChIKey is USBYMDJGTYIEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(2)13-14-9-8-12(15-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,14,15).
What are the key properties of 6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine?
6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine has a molecular weight of 200.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 58588586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).