(5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C14H20N4O2 — CID 66370325

IUPAC(5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCC(C)c1ncc(N)c(C(=O)N2CC3CCC(C2)O3)n1
InChIInChI=1S/C14H20N4O2/c1-8(2)13-16-5-11(15)12(17-13)14(19)18-6-9-3-4-10(7-18)20-9/h5,8-10H,3-4,6-7,15H2,1-2H3
InChIKeyYASCYVPEXGFGAH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.19
Rot. Bonds2

About (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66370325) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66370325
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCC(C)c1ncc(N)c(C(=O)N2CC3CCC(C2)O3)n1
InChIInChI=1S/C14H20N4O2/c1-8(2)13-16-5-11(15)12(17-13)14(19)18-6-9-3-4-10(7-18)20-9/h5,8-10H,3-4,6-7,15H2,1-2H3
InChIKeyYASCYVPEXGFGAH-UHFFFAOYSA-N
XLogP1.19
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide
CID 63832909
5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 105923841
N-[2-(2,2-difluoroethoxy)ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 105923956
2-isopropyl-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)pyrimidine-4-carboxamide
CID 56870251
N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 68557110
N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 68562002
Tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate
CID 121409062
5-(Dimethylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 140508290
2-Methyl-5-morpholin-4-ylpyrimidine-4-carboxamide
CID 144793575
2-Methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide
CID 144793779
6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 146197374
5-amino-2-ethyl-N-(oxolan-3-yl)pyrimidine-4-carboxamide;ethane
CID 170574565

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66370325) is (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is CC(C)c1ncc(N)c(C(=O)N2CC3CCC(C2)O3)n1.
What is the InChIKey of (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is YASCYVPEXGFGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-8(2)13-16-5-11(15)12(17-13)14(19)18-6-9-3-4-10(7-18)20-9/h5,8-10H,3-4,6-7,15H2,1-2H3.
What are the key properties of (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66370325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).