[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C19H30N4O4 — CID 163310197

IUPAC[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)nc(N)n1
InChIInChI=1S/C19H30N4O4/c1-12(2)10-13-11-14(22-17(20)21-13)15(24)23-7-4-19(5-8-23)16(25)18(3,26)6-9-27-19/h11-12,16,25-26H,4-10H2,1-3H3,(H2,20,21,22)/t16-,18+/m0/s1
InChIKeyCRQOSGZSMPFZLF-FUHWJXTLSA-N
MW378.47 g/mol
LogP0.76
Rot. Bonds3

About [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 163310197) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID163310197
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)nc(N)n1
InChIInChI=1S/C19H30N4O4/c1-12(2)10-13-11-14(22-17(20)21-13)15(24)23-7-4-19(5-8-23)16(25)18(3,26)6-9-27-19/h11-12,16,25-26H,4-10H2,1-3H3,(H2,20,21,22)/t16-,18+/m0/s1
InChIKeyCRQOSGZSMPFZLF-FUHWJXTLSA-N
XLogP0.76
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135110690
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135088326
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 135100932
[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 131914788
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 70780034
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methoxyquinolin-2-yl)methanone
CID 135102707
1-[1-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 26400088
(5-chloro-3-pyridinyl)-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 135119872
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(3-methoxypiperidin-1-yl)methanone
CID 77097381
2,3-dihydro-1,4-benzodioxin-6-yl-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 166624334
4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2H-phthalazin-1-one
CID 163318414
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methanone
CID 50983669

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 163310197) is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is CC(C)Cc1cc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)nc(N)n1.
What is the InChIKey of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is CRQOSGZSMPFZLF-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-12(2)10-13-11-14(22-17(20)21-13)15(24)23-7-4-19(5-8-23)16(25)18(3,26)6-9-27-19/h11-12,16,25-26H,4-10H2,1-3H3,(H2,20,21,22)/t16-,18+/m0/s1.
What are the key properties of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 378.47 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 163310197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).