N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide

C14H17BrN6O — CID 122319649

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2cncc(Br)c2)c(N(C)C)n1
InChIInChI=1S/C14H17BrN6O/c1-20(2)12-11(8-17-14(19-12)21(3)4)18-13(22)9-5-10(15)7-16-6-9/h5-8H,1-4H3,(H,18,22)
InChIKeyZXELTGZDUJXUMT-UHFFFAOYSA-N
MW365.24 g/mol
LogP2.02
Rot. Bonds4

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide (PubChem CID 122319649) has the molecular formula C14H17BrN6O and a molecular weight of 365.24 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide
PubChem CID122319649
Molecular FormulaC14H17BrN6O
Molecular Weight365.24 g/mol
Exact Mass364.06
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2cncc(Br)c2)c(N(C)C)n1
InChIInChI=1S/C14H17BrN6O/c1-20(2)12-11(8-17-14(19-12)21(3)4)18-13(22)9-5-10(15)7-16-6-9/h5-8H,1-4H3,(H,18,22)
InChIKeyZXELTGZDUJXUMT-UHFFFAOYSA-N
XLogP2.02
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
CID 122319790
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 71807673
4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide
CID 122319737
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
CID 91969285
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122319694
5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62954817
5-bromo-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 29367937
N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860296
5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 26881964

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide (CID 122319649) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide is CN(C)c1ncc(NC(=O)c2cncc(Br)c2)c(N(C)C)n1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide?
The InChIKey is ZXELTGZDUJXUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN6O/c1-20(2)12-11(8-17-14(19-12)21(3)4)18-13(22)9-5-10(15)7-16-6-9/h5-8H,1-4H3,(H,18,22).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide has a molecular weight of 365.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 122319649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).