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

C18H18N4O2 — CID 97148730

IUPAC2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@H](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)/t16-/m1/s1
InChIKeyNTRNWXBTPSTSBO-MRXNPFEDSA-N
MW322.37 g/mol
LogP3.02
Rot. Bonds6

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

2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 97148730) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
PubChem CID97148730
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@H](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)/t16-/m1/s1
InChIKeyNTRNWXBTPSTSBO-MRXNPFEDSA-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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Related Compounds

(3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid
CID 97195064
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 97114625
4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029454
4-(diethylsulfamoyl)-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928237
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 52516146
4-butoxy-N-[furan-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 134029325
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide (CID 97148730) is 2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N[C@H](c2ccccc2)c2ccco2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is NTRNWXBTPSTSBO-MRXNPFEDSA-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)/t16-/m1/s1.
What are the key properties of 2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[(R)-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-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 97148730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).