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5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide

C12H13BrN4O2 — CID 72718232

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C12H13BrN4O2/c1-17(2)11-5-6-14-10(16-11)7-15-12(18)8-3-4-9(13)19-8/h3-6H,7H2,1-2H3,(H,15,18)
InChIKeyWVPNHGCICVWQSI-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.83
Rot. Bonds4

About 5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide

5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide (PubChem CID 72718232) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
PubChem CID72718232
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C12H13BrN4O2/c1-17(2)11-5-6-14-10(16-11)7-15-12(18)8-3-4-9(13)19-8/h3-6H,7H2,1-2H3,(H,15,18)
InChIKeyWVPNHGCICVWQSI-UHFFFAOYSA-N
XLogP1.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide (CID 72718232) is 5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide is CN(C)c1ccnc(CNC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide?
The InChIKey is WVPNHGCICVWQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-17(2)11-5-6-14-10(16-11)7-15-12(18)8-3-4-9(13)19-8/h3-6H,7H2,1-2H3,(H,15,18).
What are the key properties of 5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 72718232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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