2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one

C17H29N3O2 — CID 174181800

IUPAC2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one
SMILESCC(C)(C)CC1O[C@@H](c2cnc(N)[nH]c2=O)C[C@H]1C(C)(C)C
InChIInChI=1S/C17H29N3O2/c1-16(2,3)8-13-11(17(4,5)6)7-12(22-13)10-9-19-15(18)20-14(10)21/h9,11-13H,7-8H2,1-6H3,(H3,18,19,20,21)/t11-,12-,13?/m1/s1
InChIKeyNONVNUYRRUUQCJ-ZNRZSNADSA-N
MW307.44 g/mol
LogP3.28
Rot. Bonds2

About 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one

2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one (PubChem CID 174181800) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one
PubChem CID174181800
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one
SMILESCC(C)(C)CC1O[C@@H](c2cnc(N)[nH]c2=O)C[C@H]1C(C)(C)C
InChIInChI=1S/C17H29N3O2/c1-16(2,3)8-13-11(17(4,5)6)7-12(22-13)10-9-19-15(18)20-14(10)21/h9,11-13H,7-8H2,1-6H3,(H3,18,19,20,21)/t11-,12-,13?/m1/s1
InChIKeyNONVNUYRRUUQCJ-ZNRZSNADSA-N
XLogP3.28
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one
CID 144630147
2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one
CID 158358779
1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,3-diazinan-2-one
CID 174181874
2-amino-5-[(1R,2S,4R)-2-hydroxy-4-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 11379442
2-amino-5-[5-(hydroxymethyl)-4-(2-hydroxypropan-2-yloxy)-3-methylpyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 123844202
3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 174181793
1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 174181889
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 90963679
2,5-diamino-1H-pyrimidin-6-one;dihydrochloride
CID 133054025
5-(1-adamantyl)-2-amino-1H-pyrimidin-6-one
CID 125492162
2-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260668
4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one
CID 174181783

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one (CID 174181800) is 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one is CC(C)(C)CC1O[C@@H](c2cnc(N)[nH]c2=O)C[C@H]1C(C)(C)C.
What is the InChIKey of 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one?
The InChIKey is NONVNUYRRUUQCJ-ZNRZSNADSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-16(2,3)8-13-11(17(4,5)6)7-12(22-13)10-9-19-15(18)20-14(10)21/h9,11-13H,7-8H2,1-6H3,(H3,18,19,20,21)/t11-,12-,13?/m1/s1.
What are the key properties of 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one?
2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one has a molecular weight of 307.44 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 174181800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).