(4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone

C13H17N3O2 — CID 74235118

IUPAC(4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESCc1ncncc1C(=O)N1CCC2(CCO2)CC1
InChIInChI=1S/C13H17N3O2/c1-10-11(8-14-9-15-10)12(17)16-5-2-13(3-6-16)4-7-18-13/h8-9H,2-7H2,1H3
InChIKeyYXNPDPBVKWMGPN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.18
Rot. Bonds1

About (4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone

(4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone (PubChem CID 74235118) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
PubChem CID74235118
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESCc1ncncc1C(=O)N1CCC2(CCO2)CC1
InChIInChI=1S/C13H17N3O2/c1-10-11(8-14-9-15-10)12(17)16-5-2-13(3-6-16)4-7-18-13/h8-9H,2-7H2,1H3
InChIKeyYXNPDPBVKWMGPN-UHFFFAOYSA-N
XLogP1.18
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of (4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone (CID 74235118) is (4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for (4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for (4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone is Cc1ncncc1C(=O)N1CCC2(CCO2)CC1.
What is the InChIKey of (4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is YXNPDPBVKWMGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-11(8-14-9-15-10)12(17)16-5-2-13(3-6-16)4-7-18-13/h8-9H,2-7H2,1H3.
What are the key properties of (4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
(4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 247.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-5-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 74235118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).