(2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C18H25N3O3 — CID 72905596

IUPAC(2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C18H25N3O3/c1-12-14(11-19-16(20-12)13-4-5-13)17(23)21-8-6-18(7-9-21)15(22)3-2-10-24-18/h11,13,15,22H,2-10H2,1H3
InChIKeyVRTRWGQXBSWKBX-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.81
Rot. Bonds2

About (2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 72905596) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID72905596
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C18H25N3O3/c1-12-14(11-19-16(20-12)13-4-5-13)17(23)21-8-6-18(7-9-21)15(22)3-2-10-24-18/h11,13,15,22H,2-10H2,1H3
InChIKeyVRTRWGQXBSWKBX-UHFFFAOYSA-N
XLogP1.81
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 72905596) is (2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is Cc1nc(C2CC2)ncc1C(=O)N1CCC2(CC1)OCCCC2O.
What is the InChIKey of (2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is VRTRWGQXBSWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-14(11-19-16(20-12)13-4-5-13)17(23)21-8-6-18(7-9-21)15(22)3-2-10-24-18/h11,13,15,22H,2-10H2,1H3.
What are the key properties of (2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4-methylpyrimidin-5-yl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 72905596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).