5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine

C16H24N6O2 — CID 167989412

IUPAC5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine
SMILESCO[C@@H]1C[C@H](CNc2noc(C(C)(C)C)n2)N(c2ccncn2)C1
InChIInChI=1S/C16H24N6O2/c1-16(2,3)14-20-15(21-24-14)18-8-11-7-12(23-4)9-22(11)13-5-6-17-10-19-13/h5-6,10-12H,7-9H2,1-4H3,(H,18,21)/t11-,12-/m1/s1
InChIKeyXIZSLIRJQSCBOX-VXGBXAGGSA-N
MW332.41 g/mol
LogP1.86
Rot. Bonds5

About 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine

5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 167989412) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine
PubChem CID167989412
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine
SMILESCO[C@@H]1C[C@H](CNc2noc(C(C)(C)C)n2)N(c2ccncn2)C1
InChIInChI=1S/C16H24N6O2/c1-16(2,3)14-20-15(21-24-14)18-8-11-7-12(23-4)9-22(11)13-5-6-17-10-19-13/h5-6,10-12H,7-9H2,1-4H3,(H,18,21)/t11-,12-/m1/s1
InChIKeyXIZSLIRJQSCBOX-VXGBXAGGSA-N
XLogP1.86
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one
CID 167973639
6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile
CID 154788987
[5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol
CID 154771906
3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 167791434
1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine
CID 124710405
methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate
CID 102557395
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
5-tert-butyl-3-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95353474
N-[(3aS,6aR)-5-methoxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-pyrimidin-4-ylazetidin-3-amine
CID 139021598
4-(4-methoxypiperidin-1-yl)pyrimidine
CID 140584286
2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
CID 128978128
8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
CID 146115761

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine (CID 167989412) is 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine is CO[C@@H]1C[C@H](CNc2noc(C(C)(C)C)n2)N(c2ccncn2)C1.
What is the InChIKey of 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is XIZSLIRJQSCBOX-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-16(2,3)14-20-15(21-24-14)18-8-11-7-12(23-4)9-22(11)13-5-6-17-10-19-13/h5-6,10-12H,7-9H2,1-4H3,(H,18,21)/t11-,12-/m1/s1.
What are the key properties of 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine?
5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 332.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 167989412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).