4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide

C23H28N6O2 — CID 118982548

IUPAC4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc([C@H](C)CNc2cc(-c3ccc(N(C)C)nc3)ncn2)c(OC)c1
InChIInChI=1S/C23H28N6O2/c1-15(18-8-6-16(23(30)24-2)10-20(18)31-5)12-25-21-11-19(27-14-28-21)17-7-9-22(26-13-17)29(3)4/h6-11,13-15H,12H2,1-5H3,(H,24,30)(H,25,27,28)/t15-/m1/s1
InChIKeyYAWBKZUOLVVZDT-OAHLLOKOSA-N
MW420.52 g/mol
LogP3.19
Rot. Bonds8

About 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide

4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide (PubChem CID 118982548) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
PubChem CID118982548
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc([C@H](C)CNc2cc(-c3ccc(N(C)C)nc3)ncn2)c(OC)c1
InChIInChI=1S/C23H28N6O2/c1-15(18-8-6-16(23(30)24-2)10-20(18)31-5)12-25-21-11-19(27-14-28-21)17-7-9-22(26-13-17)29(3)4/h6-11,13-15H,12H2,1-5H3,(H,24,30)(H,25,27,28)/t15-/m1/s1
InChIKeyYAWBKZUOLVVZDT-OAHLLOKOSA-N
XLogP3.19
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 118982553
3-methoxy-N-methyl-4-[(2S)-1-[[6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide;sulfane
CID 162221613
4-[(2S)-1-[[6-[4-(aminomethyl)phenyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide;sulfane
CID 158374301
3-methoxy-4-[(2S)-1-[[6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylbenzamide;sulfane
CID 157431990
4-[1-[[6-[5-methanimidoyl-6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 144832100
3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide
CID 123346436
3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide
CID 73214082
3-methoxy-N-methyl-4-[(2S)-1-[[6-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide;sulfane
CID 158126980
4-[(2S)-1-[[6-(1-hydroxy-2,3-dihydro-1H-isoindol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 134289095
3-methoxy-N-methyl-4-[(2S)-1-[[6-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide;sulfane
CID 160635124
3-methoxy-N-methyl-4-[2-[[6-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]benzamide
CID 123922842
4-[(3S)-5-[[6-[6-(azetidin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-3,4-dimethylpentan-2-yl]-3-methoxy-N-methylbenzamide
CID 163547170

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide (CID 118982548) is 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide is CNC(=O)c1ccc([C@H](C)CNc2cc(-c3ccc(N(C)C)nc3)ncn2)c(OC)c1.
What is the InChIKey of 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide?
The InChIKey is YAWBKZUOLVVZDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15(18-8-6-16(23(30)24-2)10-20(18)31-5)12-25-21-11-19(27-14-28-21)17-7-9-22(26-13-17)29(3)4/h6-11,13-15H,12H2,1-5H3,(H,24,30)(H,25,27,28)/t15-/m1/s1.
What are the key properties of 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide?
4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide has a molecular weight of 420.52 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 118982548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).