2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide

C19H19N5O — CID 50959450

IUPAC2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCCc2nccc(-c3ccccc3)n2)cn1
InChIInChI=1S/C19H19N5O/c1-2-17-22-12-15(13-23-17)19(25)21-11-9-18-20-10-8-16(24-18)14-6-4-3-5-7-14/h3-8,10,12-13H,2,9,11H2,1H3,(H,21,25)
InChIKeyVHJNIYVZZVQDRF-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.47
Rot. Bonds6

About 2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide

2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 50959450) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID50959450
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCCc2nccc(-c3ccccc3)n2)cn1
InChIInChI=1S/C19H19N5O/c1-2-17-22-12-15(13-23-17)19(25)21-11-9-18-20-10-8-16(24-18)14-6-4-3-5-7-14/h3-8,10,12-13H,2,9,11H2,1H3,(H,21,25)
InChIKeyVHJNIYVZZVQDRF-UHFFFAOYSA-N
XLogP2.47
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856
2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide
CID 137025275
N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122570692
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
4-phenyl-2-(2-phenylethyl)pyrimidine
CID 150687160
2-(2-chloroethyl)-4-phenylpyrimidine
CID 116899322
2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid
CID 135122283
N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine
CID 56867410
4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide
CID 87442257
7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine
CID 157016578

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide (CID 50959450) is 2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)NCCc2nccc(-c3ccccc3)n2)cn1.
What is the InChIKey of 2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is VHJNIYVZZVQDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-17-22-12-15(13-23-17)19(25)21-11-9-18-20-10-8-16(24-18)14-6-4-3-5-7-14/h3-8,10,12-13H,2,9,11H2,1H3,(H,21,25).
What are the key properties of 2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide?
2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 50959450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).