2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide

C21H24N6O — CID 70571878

IUPAC2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide
SMILESCN(Cc1cccc(-c2cnc(NCCc3ccccn3)nc2)c1)C(=O)CN
InChIInChI=1S/C21H24N6O/c1-27(20(28)12-22)15-16-5-4-6-17(11-16)18-13-25-21(26-14-18)24-10-8-19-7-2-3-9-23-19/h2-7,9,11,13-14H,8,10,12,15,22H2,1H3,(H,24,25,26)
InChIKeyNLNHLWUWHMKXRU-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.11
Rot. Bonds8

About 2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide

2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide (PubChem CID 70571878) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide
PubChem CID70571878
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide
SMILESCN(Cc1cccc(-c2cnc(NCCc3ccccn3)nc2)c1)C(=O)CN
InChIInChI=1S/C21H24N6O/c1-27(20(28)12-22)15-16-5-4-6-17(11-16)18-13-25-21(26-14-18)24-10-8-19-7-2-3-9-23-19/h2-7,9,11,13-14H,8,10,12,15,22H2,1H3,(H,24,25,26)
InChIKeyNLNHLWUWHMKXRU-UHFFFAOYSA-N
XLogP2.11
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
CID 70572704
2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide
CID 70572382
2-amino-N-methyl-N-[[3-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572228
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
2-amino-N-methyl-N-[[3-[2-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572864
2-amino-N-methyl-N-[[3-[2-[4-(5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70571158
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
tert-butyl N-[2-[[3-[4-(aminomethyl)phenyl]phenyl]methyl-methylamino]-2-oxoethyl]carbamate
CID 70570674
2-amino-N-[[3-[2-[4-(2-methoxyethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]-N-methylacetamide
CID 70572185
cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate
CID 174893341
N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
CID 70572054

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide (CID 70571878) is 2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide is CN(Cc1cccc(-c2cnc(NCCc3ccccn3)nc2)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide?
The InChIKey is NLNHLWUWHMKXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-27(20(28)12-22)15-16-5-4-6-17(11-16)18-13-25-21(26-14-18)24-10-8-19-7-2-3-9-23-19/h2-7,9,11,13-14H,8,10,12,15,22H2,1H3,(H,24,25,26).
What are the key properties of 2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide?
2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 70571878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).