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

C12H13BrN4O2 — CID 72718232

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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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-nitrofuran-2-carboxamide
CID 122322465
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
CID 122322467
5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
CID 103883547
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide
CID 122322472
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide
CID 110794899

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).