2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide

C20H22N4O2 — CID 72842683

IUPAC2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(CCc2ccccc2)Cc2ccco2)cn1
InChIInChI=1S/C20H22N4O2/c1-2-21-20-22-13-17(14-23-20)19(25)24(15-18-9-6-12-26-18)11-10-16-7-4-3-5-8-16/h3-9,12-14H,2,10-11,15H2,1H3,(H,21,22,23)
InChIKeyQZJBFEXJGLPUDQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.39
Rot. Bonds8

About 2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide

2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 72842683) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID72842683
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(CCc2ccccc2)Cc2ccco2)cn1
InChIInChI=1S/C20H22N4O2/c1-2-21-20-22-13-17(14-23-20)19(25)24(15-18-9-6-12-26-18)11-10-16-7-4-3-5-8-16/h3-9,12-14H,2,10-11,15H2,1H3,(H,21,22,23)
InChIKeyQZJBFEXJGLPUDQ-UHFFFAOYSA-N
XLogP3.39
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
2-[ethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3303981
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide
CID 100666480
N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693
N-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42793691
N-benzyl-2-[ethylcarbamoyl(propyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4606428

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 72842683) is 2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N(CCc2ccccc2)Cc2ccco2)cn1.
What is the InChIKey of 2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is QZJBFEXJGLPUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-21-20-22-13-17(14-23-20)19(25)24(15-18-9-6-12-26-18)11-10-16-7-4-3-5-8-16/h3-9,12-14H,2,10-11,15H2,1H3,(H,21,22,23).
What are the key properties of 2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72842683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).