2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C20H22N8S — CID 132778397

IUPAC2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESCN(C)c1ncc(CN2CCCC2c2cccc(Nc3ncc(C#N)s3)n2)cn1
InChIInChI=1S/C20H22N8S/c1-27(2)19-22-10-14(11-23-19)13-28-8-4-6-17(28)16-5-3-7-18(25-16)26-20-24-12-15(9-21)29-20/h3,5,7,10-12,17H,4,6,8,13H2,1-2H3,(H,24,25,26)
InChIKeyNKADZWNVUSWKPU-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.35
Rot. Bonds6

About 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 132778397) has the molecular formula C20H22N8S and a molecular weight of 406.52 g/mol. Its IUPAC name is 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID132778397
Molecular FormulaC20H22N8S
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC Name2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESCN(C)c1ncc(CN2CCCC2c2cccc(Nc3ncc(C#N)s3)n2)cn1
InChIInChI=1S/C20H22N8S/c1-27(2)19-22-10-14(11-23-19)13-28-8-4-6-17(28)16-5-3-7-18(25-16)26-20-24-12-15(9-21)29-20/h3,5,7,10-12,17H,4,6,8,13H2,1-2H3,(H,24,25,26)
InChIKeyNKADZWNVUSWKPU-UHFFFAOYSA-N
XLogP3.35
TPSA93.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile with MolForge

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Related Compounds

2-[[6-[1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 132778416
5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 132778232
N-[6-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 110265111
N-[6-[1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 175659043
5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 132766777
2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 175659770
2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 21132139
2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95842802
2-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanol
CID 110268824
N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244833
4,6-dimethyl-1-[3-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidin-2-one
CID 110265230
2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 132771049

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 132778397) is 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is CN(C)c1ncc(CN2CCCC2c2cccc(Nc3ncc(C#N)s3)n2)cn1.
What is the InChIKey of 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is NKADZWNVUSWKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8S/c1-27(2)19-22-10-14(11-23-19)13-28-8-4-6-17(28)16-5-3-7-18(25-16)26-20-24-12-15(9-21)29-20/h3,5,7,10-12,17H,4,6,8,13H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 406.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 132778397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).