N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C17H21N7OS — CID 90183273

IUPACN-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCC(C)n1cnc2cnc(Nc3ccnc(N4CCS(=O)CC4)n3)cc21
InChIInChI=1S/C17H21N7OS/c1-12(2)24-11-20-13-10-19-16(9-14(13)24)21-15-3-4-18-17(22-15)23-5-7-26(25)8-6-23/h3-4,9-12H,5-8H2,1-2H3,(H,18,19,21,22)
InChIKeyZZFWVKHRMGBQNK-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 90183273) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID90183273
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC NameN-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCC(C)n1cnc2cnc(Nc3ccnc(N4CCS(=O)CC4)n3)cc21
InChIInChI=1S/C17H21N7OS/c1-12(2)24-11-20-13-10-19-16(9-14(13)24)21-15-3-4-18-17(22-15)23-5-7-26(25)8-6-23/h3-4,9-12H,5-8H2,1-2H3,(H,18,19,21,22)
InChIKeyZZFWVKHRMGBQNK-UHFFFAOYSA-N
XLogP2.11
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
CID 90183817
N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid
CID 118661932
2-methyl-1-propan-2-yl-N-[2-(4-propan-2-ylsulfinylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 129271175
2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 144632896
2-methyl-N-[2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 91971390
2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;molecular hydrogen
CID 144632895
3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane
CID 158727264
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
CID 144632955
2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 118661753
2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one
CID 159766689
1-[6-[[2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3,4-diol
CID 123868629
2-methyl-1-propan-2-yl-N-[2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 90184058

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 90183273) is N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is CC(C)n1cnc2cnc(Nc3ccnc(N4CCS(=O)CC4)n3)cc21.
What is the InChIKey of N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is ZZFWVKHRMGBQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-12(2)24-11-20-13-10-19-16(9-14(13)24)21-15-3-4-18-17(22-15)23-5-7-26(25)8-6-23/h3-4,9-12H,5-8H2,1-2H3,(H,18,19,21,22).
What are the key properties of N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 371.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).