(4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine

C12H16N2 — CID 162350993

IUPAC(4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine
SMILESCC1(C)CNC=N[C@H]1c1ccccc1
InChIInChI=1S/C12H16N2/c1-12(2)8-13-9-14-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyYBWCYSFSGHUFBG-NSHDSACASA-N
MW188.27 g/mol
LogP2.39
Rot. Bonds1

About (4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine

(4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine (PubChem CID 162350993) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine
PubChem CID162350993
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine
SMILESCC1(C)CNC=N[C@H]1c1ccccc1
InChIInChI=1S/C12H16N2/c1-12(2)8-13-9-14-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyYBWCYSFSGHUFBG-NSHDSACASA-N
XLogP2.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine?
The IUPAC name of (4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine (CID 162350993) is (4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for (4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for (4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine is CC1(C)CNC=N[C@H]1c1ccccc1.
What is the InChIKey of (4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine?
The InChIKey is YBWCYSFSGHUFBG-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2)8-13-9-14-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine?
(4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine has a molecular weight of 188.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 162350993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).