N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide

C18H18N4O3 — CID 109255149

IUPACN-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(NCc2ccco2)nc1
InChIInChI=1S/C18H18N4O3/c1-2-24-16-8-4-3-7-15(16)22-17(23)13-10-19-18(20-11-13)21-12-14-6-5-9-25-14/h3-11H,2,12H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyRSDQBPNNCYKWLF-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.33
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide

N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109255149) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109255149
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(NCc2ccco2)nc1
InChIInChI=1S/C18H18N4O3/c1-2-24-16-8-4-3-7-15(16)22-17(23)13-10-19-18(20-11-13)21-12-14-6-5-9-25-14/h3-11H,2,12H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyRSDQBPNNCYKWLF-UHFFFAOYSA-N
XLogP3.33
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085231
6-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155336
N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255161
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255203
N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809908
4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide
CID 53108666
2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255128
2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109268970
2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109266635
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231568

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109255149) is N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide is CCOc1ccccc1NC(=O)c1cnc(NCc2ccco2)nc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is RSDQBPNNCYKWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-24-16-8-4-3-7-15(16)22-17(23)13-10-19-18(20-11-13)21-12-14-6-5-9-25-14/h3-11H,2,12H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).