5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine

C20H24N8O — CID 130357327

IUPAC5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CC4[C@H]3CN4C3COC3)nc(N3CC4CC3C4)n2)cn1
InChIInChI=1S/C20H24N8O/c21-19-22-4-12(5-23-19)15-3-18(25-20(24-15)27-6-11-1-13(27)2-11)28-8-16-17(28)7-26(16)14-9-29-10-14/h3-5,11,13-14,16-17H,1-2,6-10H2,(H2,21,22,23)/t11?,13?,16?,17-/m1/s1
InChIKeyJTVSDEOXADHVAJ-XBOYHZJJSA-N
MW392.47 g/mol
LogP0.39
Rot. Bonds4

About 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine

5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 130357327) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID130357327
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CC4[C@H]3CN4C3COC3)nc(N3CC4CC3C4)n2)cn1
InChIInChI=1S/C20H24N8O/c21-19-22-4-12(5-23-19)15-3-18(25-20(24-15)27-6-11-1-13(27)2-11)28-8-16-17(28)7-26(16)14-9-29-10-14/h3-5,11,13-14,16-17H,1-2,6-10H2,(H2,21,22,23)/t11?,13?,16?,17-/m1/s1
InChIKeyJTVSDEOXADHVAJ-XBOYHZJJSA-N
XLogP0.39
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine (CID 130357327) is 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine is Nc1ncc(-c2cc(N3CC4[C@H]3CN4C3COC3)nc(N3CC4CC3C4)n2)cn1.
What is the InChIKey of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is JTVSDEOXADHVAJ-XBOYHZJJSA-N. The full InChI is InChI=1S/C20H24N8O/c21-19-22-4-12(5-23-19)15-3-18(25-20(24-15)27-6-11-1-13(27)2-11)28-8-16-17(28)7-26(16)14-9-29-10-14/h3-5,11,13-14,16-17H,1-2,6-10H2,(H2,21,22,23)/t11?,13?,16?,17-/m1/s1.
What are the key properties of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine?
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 392.47 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 130357327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).