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

C25H30N8O — CID 68983711

IUPACN-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCc1cc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)nc3)n2)cnc1N1CCOCC1
InChIInChI=1S/C25H30N8O/c1-17-11-18(13-28-24(17)32-7-9-34-10-8-32)22-5-6-26-25(30-22)29-19-3-4-23(27-14-19)33-16-20-12-21(33)15-31(20)2/h3-6,11,13-14,20-21H,7-10,12,15-16H2,1-2H3,(H,26,29,30)
InChIKeySAGOOTDOADKTAP-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.71
Rot. Bonds5

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

N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 68983711) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID68983711
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC NameN-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCc1cc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)nc3)n2)cnc1N1CCOCC1
InChIInChI=1S/C25H30N8O/c1-17-11-18(13-28-24(17)32-7-9-34-10-8-32)22-5-6-26-25(30-22)29-19-3-4-23(27-14-19)33-16-20-12-21(33)15-31(20)2/h3-6,11,13-14,20-21H,7-10,12,15-16H2,1-2H3,(H,26,29,30)
InChIKeySAGOOTDOADKTAP-UHFFFAOYSA-N
XLogP2.71
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (CID 68983711) is N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is Cc1cc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)nc3)n2)cnc1N1CCOCC1.
What is the InChIKey of N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is SAGOOTDOADKTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-17-11-18(13-28-24(17)32-7-9-34-10-8-32)22-5-6-26-25(30-22)29-19-3-4-23(27-14-19)33-16-20-12-21(33)15-31(20)2/h3-6,11,13-14,20-21H,7-10,12,15-16H2,1-2H3,(H,26,29,30).
What are the key properties of N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 458.57 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 68983711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).