ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate

C23H27N3O2 — CID 10691005

IUPACethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate
SMILESCCCCN1C(N)=NC(c2ccccc2)=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-3-5-16-26-21(18-14-10-7-11-15-18)19(22(27)28-4-2)20(25-23(26)24)17-12-8-6-9-13-17/h6-15,21H,3-5,16H2,1-2H3,(H2,24,25)
InChIKeyKFYAETWLCIGNKK-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.13
Rot. Bonds7

About ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate

ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate (PubChem CID 10691005) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate
PubChem CID10691005
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Nameethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate
SMILESCCCCN1C(N)=NC(c2ccccc2)=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-3-5-16-26-21(18-14-10-7-11-15-18)19(22(27)28-4-2)20(25-23(26)24)17-12-8-6-9-13-17/h6-15,21H,3-5,16H2,1-2H3,(H2,24,25)
InChIKeyKFYAETWLCIGNKK-UHFFFAOYSA-N
XLogP4.13
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R,5S)-2-methyl-5-(4-methylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2142896
ethyl (4R)-3-acetyl-2-butylsulfanyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate
CID 27256057
ethyl (2E,5R)-2-(1-butyl-2-oxoindol-3-ylidene)-5-(4-methylsulfanylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126395538
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
ethyl 6-[4-(pentanoylamino)phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 3276963
ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate
CID 174676086
ethyl 1-butyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 155343121
ethyl (2Z,5R)-2-[(2-chlorophenyl)methylidene]-3-oxo-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 41029205
2-[6-ethoxycarbonyl-5-(4-fluorophenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
CID 42826904
ethyl 6-[4-(octanoylamino)phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 5010615
ethyl (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-oxo-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2720827
ethyl (6S)-3-butyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 92970738

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate (CID 10691005) is ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate is CCCCN1C(N)=NC(c2ccccc2)=C(C(=O)OCC)C1c1ccccc1.
What is the InChIKey of ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate?
The InChIKey is KFYAETWLCIGNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-5-16-26-21(18-14-10-7-11-15-18)19(22(27)28-4-2)20(25-23(26)24)17-12-8-6-9-13-17/h6-15,21H,3-5,16H2,1-2H3,(H2,24,25).
What are the key properties of ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate?
ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 10691005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).