carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine

C23H24N2O4 — CID 89483150

IUPACcarbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine
SMILESO=C(O)O.c1ccc(-c2cnc(OC3CCCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O.CH2O3/c1-4-10-17(11-5-1)20-16-23-22(25-19-14-8-3-9-15-19)24-21(20)18-12-6-2-7-13-18;2-1(3)4/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2;(H2,2,3,4)
InChIKeyHOAIHVXTKRDYAX-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.74
Rot. Bonds4

About carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine

carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine (PubChem CID 89483150) has the molecular formula C23H24N2O4 and a molecular weight of 392.45 g/mol. Its IUPAC name is carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine.

Molecular Properties

Compound Namecarbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine
PubChem CID89483150
Molecular FormulaC23H24N2O4
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Namecarbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine
SMILESO=C(O)O.c1ccc(-c2cnc(OC3CCCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O.CH2O3/c1-4-10-17(11-5-1)20-16-23-22(25-19-14-8-3-9-15-19)24-21(20)18-12-6-2-7-13-18;2-1(3)4/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2;(H2,2,3,4)
InChIKeyHOAIHVXTKRDYAX-UHFFFAOYSA-N
XLogP5.74
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid
CID 68581486
6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid
CID 134391742
2-cyclopentyloxypyrimidine-5-carboxylic acid
CID 25116525
(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol
CID 83184474
2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide
CID 141142782
ethyl 4-[(4,5-diphenylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 68580771
N-cyclohexyl-5,6-diphenylpyrazine-2-carboxamide
CID 10150172
cyclopentyl (2-phenylphenyl) carbonate
CID 121311469
cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate
CID 67873422
4-chloro-6-cycloheptyloxy-2-phenylpyrimidine
CID 115914559
perchloric acid;2,4,5-triphenylpyrimidine
CID 159862899
5-cycloheptyloxypyridine-2-carboxylic acid
CID 115491140

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine?
The IUPAC name of carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine (CID 89483150) is carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine.
What is the SMILES notation for carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine?
The canonical SMILES for carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine is O=C(O)O.c1ccc(-c2cnc(OC3CCCCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine?
The InChIKey is HOAIHVXTKRDYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O.CH2O3/c1-4-10-17(11-5-1)20-16-23-22(25-19-14-8-3-9-15-19)24-21(20)18-12-6-2-7-13-18;2-1(3)4/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2;(H2,2,3,4).
What are the key properties of carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine?
carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine has a molecular weight of 392.45 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine is sourced from PubChem (CID 89483150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).