2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

C16H18N6O2 — CID 44520983

IUPAC2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1
InChIInChI=1S/C16H18N6O2/c1-3-22-7-6-18-14(22)9-19-15(23)12-8-11(20-16(17)21-12)13-5-4-10(2)24-13/h4-8H,3,9H2,1-2H3,(H,19,23)(H2,17,20,21)
InChIKeyQSZUYZGRKRZVOG-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.77
Rot. Bonds5

About 2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (PubChem CID 44520983) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
PubChem CID44520983
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1
InChIInChI=1S/C16H18N6O2/c1-3-22-7-6-18-14(22)9-19-15(23)12-8-11(20-16(17)21-12)13-5-4-10(2)24-13/h4-8H,3,9H2,1-2H3,(H,19,23)(H2,17,20,21)
InChIKeyQSZUYZGRKRZVOG-UHFFFAOYSA-N
XLogP1.77
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (CID 44520983) is 2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is CCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1.
What is the InChIKey of 2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The InChIKey is QSZUYZGRKRZVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-3-22-7-6-18-14(22)9-19-15(23)12-8-11(20-16(17)21-12)13-5-4-10(2)24-13/h4-8H,3,9H2,1-2H3,(H,19,23)(H2,17,20,21).
What are the key properties of 2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylimidazol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).