2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide

C18H18N4O2 — CID 72924169

IUPAC2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(c2ccccc2)c2ccco2)cn1
InChIInChI=1S/C18H18N4O2/c1-2-19-18-20-11-14(12-21-18)17(23)22-16(15-9-6-10-24-15)13-7-4-3-5-8-13/h3-12,16H,2H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyNTRNWXBTPSTSBO-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.02
Rot. Bonds6

About 2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 72924169) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
PubChem CID72924169
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(c2ccccc2)c2ccco2)cn1
InChIInChI=1S/C18H18N4O2/c1-2-19-18-20-11-14(12-21-18)17(23)22-16(15-9-6-10-24-15)13-7-4-3-5-8-13/h3-12,16H,2H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyNTRNWXBTPSTSBO-UHFFFAOYSA-N
XLogP3.02
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide (CID 72924169) is 2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NC(c2ccccc2)c2ccco2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is NTRNWXBTPSTSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-19-18-20-11-14(12-21-18)17(23)22-16(15-9-6-10-24-15)13-7-4-3-5-8-13/h3-12,16H,2H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72924169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).