4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide

C22H25N5O — CID 126447692

IUPAC4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(-c2cc(N(C)C)ncn2)cc1)c1ccccn1
InChIInChI=1S/C22H25N5O/c1-15(2)21(18-7-5-6-12-23-18)26-22(28)17-10-8-16(9-11-17)19-13-20(27(3)4)25-14-24-19/h5-15,21H,1-4H3,(H,26,28)/t21-/m0/s1
InChIKeySYJKUDKUAGUQQB-NRFANRHFSA-N
MW375.48 g/mol
LogP3.73
Rot. Bonds6

About 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide

4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide (PubChem CID 126447692) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide.

Molecular Properties

Compound Name4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide
PubChem CID126447692
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(-c2cc(N(C)C)ncn2)cc1)c1ccccn1
InChIInChI=1S/C22H25N5O/c1-15(2)21(18-7-5-6-12-23-18)26-22(28)17-10-8-16(9-11-17)19-13-20(27(3)4)25-14-24-19/h5-15,21H,1-4H3,(H,26,28)/t21-/m0/s1
InChIKeySYJKUDKUAGUQQB-NRFANRHFSA-N
XLogP3.73
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide?
The IUPAC name of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide (CID 126447692) is 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide.
What is the SMILES notation for 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide?
The canonical SMILES for 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide is CC(C)[C@H](NC(=O)c1ccc(-c2cc(N(C)C)ncn2)cc1)c1ccccn1.
What is the InChIKey of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide?
The InChIKey is SYJKUDKUAGUQQB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15(2)21(18-7-5-6-12-23-18)26-22(28)17-10-8-16(9-11-17)19-13-20(27(3)4)25-14-24-19/h5-15,21H,1-4H3,(H,26,28)/t21-/m0/s1.
What are the key properties of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide?
4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide is sourced from PubChem (CID 126447692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).