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

C17H20N6O2 — CID 44520985

IUPAC2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3nccn3C(C)C)nc(N)n2)o1
InChIInChI=1S/C17H20N6O2/c1-10(2)23-7-6-19-15(23)9-20-16(24)13-8-12(21-17(18)22-13)14-5-4-11(3)25-14/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22)
InChIKeyFOBLNBXDRQYXQV-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.33
Rot. Bonds5

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

2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520985) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide
PubChem CID44520985
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3nccn3C(C)C)nc(N)n2)o1
InChIInChI=1S/C17H20N6O2/c1-10(2)23-7-6-19-15(23)9-20-16(24)13-8-12(21-17(18)22-13)14-5-4-11(3)25-14/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22)
InChIKeyFOBLNBXDRQYXQV-UHFFFAOYSA-N
XLogP2.33
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide (CID 44520985) is 2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3nccn3C(C)C)nc(N)n2)o1.
What is the InChIKey of 2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is FOBLNBXDRQYXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10(2)23-7-6-19-15(23)9-20-16(24)13-8-12(21-17(18)22-13)14-5-4-11(3)25-14/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22).
What are the key properties of 2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).