N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide

C17H23N5O — CID 91969285

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cnc(N(C)C)nc2N(C)C)c1
InChIInChI=1S/C17H23N5O/c1-11-7-8-12(2)13(9-11)16(23)19-14-10-18-17(22(5)6)20-15(14)21(3)4/h7-10H,1-6H3,(H,19,23)
InChIKeyJQYNQGKODVTCKL-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.48
Rot. Bonds4

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide (PubChem CID 91969285) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
PubChem CID91969285
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cnc(N(C)C)nc2N(C)C)c1
InChIInChI=1S/C17H23N5O/c1-11-7-8-12(2)13(9-11)16(23)19-14-10-18-17(22(5)6)20-15(14)21(3)4/h7-10H,1-6H3,(H,19,23)
InChIKeyJQYNQGKODVTCKL-UHFFFAOYSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
CID 91969300
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
CID 122319790
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-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide
CID 122253963
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide
CID 122319649
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide
CID 122319737
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide
CID 91969256
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122319694
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide (CID 91969285) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cnc(N(C)C)nc2N(C)C)c1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide?
The InChIKey is JQYNQGKODVTCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-7-8-12(2)13(9-11)16(23)19-14-10-18-17(22(5)6)20-15(14)21(3)4/h7-10H,1-6H3,(H,19,23).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide has a molecular weight of 313.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 91969285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).