N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine

C20H24N8S — CID 68989518

IUPACN,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)nc3)n2)cs1
InChIInChI=1S/C20H24N8S/c1-26(2)20-25-17(12-29-20)16-6-7-21-19(24-16)23-13-4-5-18(22-9-13)28-11-14-8-15(28)10-27(14)3/h4-7,9,12,14-15H,8,10-11H2,1-3H3,(H,21,23,24)
InChIKeyLJJHHLHYFPUIOZ-UHFFFAOYSA-N
MW408.54 g/mol
LogP2.70
Rot. Bonds5

About N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine

N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 68989518) has the molecular formula C20H24N8S and a molecular weight of 408.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID68989518
Molecular FormulaC20H24N8S
Molecular Weight408.54 g/mol
Exact Mass408.18
IUPAC NameN,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)nc3)n2)cs1
InChIInChI=1S/C20H24N8S/c1-26(2)20-25-17(12-29-20)16-6-7-21-19(24-16)23-13-4-5-18(22-9-13)28-11-14-8-15(28)10-27(14)3/h4-7,9,12,14-15H,8,10-11H2,1-3H3,(H,21,23,24)
InChIKeyLJJHHLHYFPUIOZ-UHFFFAOYSA-N
XLogP2.70
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 68989518) is N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is CN(C)c1nc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)nc3)n2)cs1.
What is the InChIKey of N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is LJJHHLHYFPUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8S/c1-26(2)20-25-17(12-29-20)16-6-7-21-19(24-16)23-13-4-5-18(22-9-13)28-11-14-8-15(28)10-27(14)3/h4-7,9,12,14-15H,8,10-11H2,1-3H3,(H,21,23,24).
What are the key properties of N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 408.54 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 68989518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).