4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C16H18N6O3 — CID 119507404

IUPAC4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCCNCCNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12
InChIInChI=1S/C16H18N6O3/c1-2-18-5-6-19-16(24)11-8-10(12-4-3-7-25-12)21-15-13(14(17)23)20-9-22(11)15/h3-4,7-9,18H,2,5-6H2,1H3,(H2,17,23)(H,19,24)
InChIKeyIHBFVYFOYSOVSD-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.43
Rot. Bonds7

About 4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide

4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 119507404) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID119507404
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCCNCCNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12
InChIInChI=1S/C16H18N6O3/c1-2-18-5-6-19-16(24)11-8-10(12-4-3-7-25-12)21-15-13(14(17)23)20-9-22(11)15/h3-4,7-9,18H,2,5-6H2,1H3,(H2,17,23)(H,19,24)
InChIKeyIHBFVYFOYSOVSD-UHFFFAOYSA-N
XLogP0.43
TPSA127.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 126785433
2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
CID 119536122
4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 47024013
4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 119659611
2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
CID 120554533
4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
CID 119590813
2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24685185
2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 155967598
2-phenyl-4-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631763
2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 155967660
4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25358211
2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631856

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 119507404) is 4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is CCNCCNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12.
What is the InChIKey of 4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is IHBFVYFOYSOVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-2-18-5-6-19-16(24)11-8-10(12-4-3-7-25-12)21-15-13(14(17)23)20-9-22(11)15/h3-4,7-9,18H,2,5-6H2,1H3,(H2,17,23)(H,19,24).
What are the key properties of 4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 119507404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).