2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide

C15H15N5O3 — CID 11232232

IUPAC2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)no1
InChIInChI=1S/C15H15N5O3/c1-8-3-4-13(22-8)11-6-12(19-15(16)18-11)14(21)17-7-10-5-9(2)23-20-10/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKeyXLBMHRLYCRFBSP-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide

2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 11232232) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide
PubChem CID11232232
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)no1
InChIInChI=1S/C15H15N5O3/c1-8-3-4-13(22-8)11-6-12(19-15(16)18-11)14(21)17-7-10-5-9(2)23-20-10/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKeyXLBMHRLYCRFBSP-UHFFFAOYSA-N
XLogP1.85
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrimidine-4-carboxamide, 118
CID 44520982
Pyrimidine-4-carboxamide, 109
CID 11324754
Pyrimidine-4-carboxamide, 117
CID 11381773
Pyrimidine-4-carboxamide, 25
CID 11426423
Pyrimidine-4-carboxamide, 27
CID 44520941
4-Pyrimidinecarboxamide,6-(5-methyl-2-furanyl)-n-(2-pyridinylmethyl)-
CID 44520975
4-Pyrimidinecarboxamide,2-amino-6-(5-methyl-2-furanyl)-n-[(6-methyl-2-pyridinyl)methyl]-
CID 44520976
Pyrimidine-4-carboxamide, 115
CID 44520980
Pyrimidine-4-carboxamide, 91
CID 44520971
Pyrimidine-4-carboxamide, 93
CID 44520972
Pyrimidine-4-carboxamide, 92
CID 44520973
Pyrimidine-4-carboxamide, 94
CID 44520974

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide (CID 11232232) is 2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide is Cc1cc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)no1.
What is the InChIKey of 2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is XLBMHRLYCRFBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-8-3-4-13(22-8)11-6-12(19-15(16)18-11)14(21)17-7-10-5-9(2)23-20-10/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19).
What are the key properties of 2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.85, 4 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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 11232232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).