N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide

C19H22N6O — CID 122319737

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide
SMILESCN(C)c1ncc(NC(=O)c2ccc(-n3cccc3)cc2)c(N(C)C)n1
InChIInChI=1S/C19H22N6O/c1-23(2)17-16(13-20-19(22-17)24(3)4)21-18(26)14-7-9-15(10-8-14)25-11-5-6-12-25/h5-13H,1-4H3,(H,21,26)
InChIKeyRNJZQWMHWYOUQQ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.65
Rot. Bonds5

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 122319737) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide
PubChem CID122319737
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide
SMILESCN(C)c1ncc(NC(=O)c2ccc(-n3cccc3)cc2)c(N(C)C)n1
InChIInChI=1S/C19H22N6O/c1-23(2)17-16(13-20-19(22-17)24(3)4)21-18(26)14-7-9-15(10-8-14)25-11-5-6-12-25/h5-13H,1-4H3,(H,21,26)
InChIKeyRNJZQWMHWYOUQQ-UHFFFAOYSA-N
XLogP2.65
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide
CID 122319704
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 71807673
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
CID 122319790
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide
CID 122319649
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-6-cyclopentyloxypyridine-3-carboxamide
CID 122319775
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
CID 91969285
4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319529
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide
CID 122319607
N-imidazo[1,2-a]pyridin-8-yl-4-pyrrol-1-ylbenzamide
CID 110745743
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide
CID 91969256

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide (CID 122319737) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide is CN(C)c1ncc(NC(=O)c2ccc(-n3cccc3)cc2)c(N(C)C)n1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is RNJZQWMHWYOUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-23(2)17-16(13-20-19(22-17)24(3)4)21-18(26)14-7-9-15(10-8-14)25-11-5-6-12-25/h5-13H,1-4H3,(H,21,26).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 350.43 g/mol, XLogP of 2.65, 5 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]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 122319737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).