N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine

C26H30N8O — CID 68983545

IUPACN-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3ccc(N4C[C@@H]5C[C@H]4CO5)nc3)n2)cnc1N1C[C@@H]2C[C@H]1CN2C
InChIInChI=1S/C26H30N8O/c1-16-7-18(11-29-25(16)34-13-19-8-20(34)12-32(19)2)30-26-27-6-5-23(31-26)17-3-4-24(28-10-17)33-14-22-9-21(33)15-35-22/h3-7,10-11,19-22H,8-9,12-15H2,1-2H3,(H,27,30,31)/t19-,20-,21-,22-/m0/s1
InChIKeyWDKJXWOKOPIYQJ-CMOCDZPBSA-N
MW470.58 g/mol
LogP2.86
Rot. Bonds5

About N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine

N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 68983545) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID68983545
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC NameN-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3ccc(N4C[C@@H]5C[C@H]4CO5)nc3)n2)cnc1N1C[C@@H]2C[C@H]1CN2C
InChIInChI=1S/C26H30N8O/c1-16-7-18(11-29-25(16)34-13-19-8-20(34)12-32(19)2)30-26-27-6-5-23(31-26)17-3-4-24(28-10-17)33-14-22-9-21(33)15-35-22/h3-7,10-11,19-22H,8-9,12-15H2,1-2H3,(H,27,30,31)/t19-,20-,21-,22-/m0/s1
InChIKeyWDKJXWOKOPIYQJ-CMOCDZPBSA-N
XLogP2.86
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine (CID 68983545) is N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine is Cc1cc(Nc2nccc(-c3ccc(N4C[C@@H]5C[C@H]4CO5)nc3)n2)cnc1N1C[C@@H]2C[C@H]1CN2C.
What is the InChIKey of N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is WDKJXWOKOPIYQJ-CMOCDZPBSA-N. The full InChI is InChI=1S/C26H30N8O/c1-16-7-18(11-29-25(16)34-13-19-8-20(34)12-32(19)2)30-26-27-6-5-23(31-26)17-3-4-24(28-10-17)33-14-22-9-21(33)15-35-22/h3-7,10-11,19-22H,8-9,12-15H2,1-2H3,(H,27,30,31)/t19-,20-,21-,22-/m0/s1.
What are the key properties of N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine?
N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 470.58 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 68983545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).