[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C19H30N4O3 — CID 135110690

IUPAC[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)CC(C)(O)CCO3)nc(N)n1
InChIInChI=1S/C19H30N4O3/c1-13(2)10-14-11-15(22-17(20)21-14)16(24)23-7-4-19(5-8-23)12-18(3,25)6-9-26-19/h11,13,25H,4-10,12H2,1-3H3,(H2,20,21,22)
InChIKeyXBOJSNGWOXUOIB-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.79
Rot. Bonds3

About [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 135110690) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID135110690
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)CC(C)(O)CCO3)nc(N)n1
InChIInChI=1S/C19H30N4O3/c1-13(2)10-14-11-15(22-17(20)21-14)16(24)23-7-4-19(5-8-23)12-18(3,25)6-9-26-19/h11,13,25H,4-10,12H2,1-3H3,(H2,20,21,22)
InChIKeyXBOJSNGWOXUOIB-UHFFFAOYSA-N
XLogP1.79
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 135110690) is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-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]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is CC(C)Cc1cc(C(=O)N2CCC3(CC2)CC(C)(O)CCO3)nc(N)n1.
What is the InChIKey of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is XBOJSNGWOXUOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13(2)10-14-11-15(22-17(20)21-14)16(24)23-7-4-19(5-8-23)12-18(3,25)6-9-26-19/h11,13,25H,4-10,12H2,1-3H3,(H2,20,21,22).
What are the key properties of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 362.47 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 135110690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).