2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

C14H14N6O2 — CID 44520982

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ncc[nH]3)nc(N)n2)o1
InChIInChI=1S/C14H14N6O2/c1-8-2-3-11(22-8)9-6-10(20-14(15)19-9)13(21)18-7-12-16-4-5-17-12/h2-6H,7H2,1H3,(H,16,17)(H,18,21)(H2,15,19,20)
InChIKeyHHRCJSSFNCDUDD-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (PubChem CID 44520982) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
PubChem CID44520982
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ncc[nH]3)nc(N)n2)o1
InChIInChI=1S/C14H14N6O2/c1-8-2-3-11(22-8)9-6-10(20-14(15)19-9)13(21)18-7-12-16-4-5-17-12/h2-6H,7H2,1H3,(H,16,17)(H,18,21)(H2,15,19,20)
InChIKeyHHRCJSSFNCDUDD-UHFFFAOYSA-N
XLogP1.28
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (CID 44520982) is 2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ncc[nH]3)nc(N)n2)o1.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The InChIKey is HHRCJSSFNCDUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-8-2-3-11(22-8)9-6-10(20-14(15)19-9)13(21)18-7-12-16-4-5-17-12/h2-6H,7H2,1H3,(H,16,17)(H,18,21)(H2,15,19,20).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).