2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine

C14H20N2 — CID 57172412

IUPAC2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine
SMILESCCC1(CC)N=CC(c2ccccc2)CN1
InChIInChI=1S/C14H20N2/c1-3-14(4-2)15-10-13(11-16-14)12-8-6-5-7-9-12/h5-10,13,16H,3-4,11H2,1-2H3
InChIKeySKVXKKICILXTFX-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.96
Rot. Bonds3

About 2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine

2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine (PubChem CID 57172412) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine
PubChem CID57172412
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine
SMILESCCC1(CC)N=CC(c2ccccc2)CN1
InChIInChI=1S/C14H20N2/c1-3-14(4-2)15-10-13(11-16-14)12-8-6-5-7-9-12/h5-10,13,16H,3-4,11H2,1-2H3
InChIKeySKVXKKICILXTFX-UHFFFAOYSA-N
XLogP2.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine
CID 106458707
3,3-diethyl-2-phenylpyrrolidine
CID 62721295
5-ethyl-3-phenylpiperazin-2-one
CID 82396570
(2-ethyl-2-methylcyclobutyl)benzene
CID 173466674
ethane;(2S)-2-phenylaziridine
CID 145185749
3-ethyl-4-phenylpiperidine
CID 56828112
1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64839744
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine?
The IUPAC name of 2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine (CID 57172412) is 2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine?
The canonical SMILES for 2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine is CCC1(CC)N=CC(c2ccccc2)CN1.
What is the InChIKey of 2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine?
The InChIKey is SKVXKKICILXTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-14(4-2)15-10-13(11-16-14)12-8-6-5-7-9-12/h5-10,13,16H,3-4,11H2,1-2H3.
What are the key properties of 2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine?
2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine has a molecular weight of 216.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 57172412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).