(2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone

C19H22N4O2 — CID 56871035

IUPAC(2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESNc1ncc(C(=O)N2CCC3(CCCO3)CC2)c(-c2ccccc2)n1
InChIInChI=1S/C19H22N4O2/c20-18-21-13-15(16(22-18)14-5-2-1-3-6-14)17(24)23-10-8-19(9-11-23)7-4-12-25-19/h1-3,5-6,13H,4,7-12H2,(H2,20,21,22)
InChIKeyZDKHYTCBKQPKBA-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.51
Rot. Bonds2

About (2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone

(2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 56871035) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID56871035
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESNc1ncc(C(=O)N2CCC3(CCCO3)CC2)c(-c2ccccc2)n1
InChIInChI=1S/C19H22N4O2/c20-18-21-13-15(16(22-18)14-5-2-1-3-6-14)17(24)23-10-8-19(9-11-23)7-4-12-25-19/h1-3,5-6,13H,4,7-12H2,(H2,20,21,22)
InChIKeyZDKHYTCBKQPKBA-UHFFFAOYSA-N
XLogP2.51
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 56871035) is (2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone is Nc1ncc(C(=O)N2CCC3(CCCO3)CC2)c(-c2ccccc2)n1.
What is the InChIKey of (2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is ZDKHYTCBKQPKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-18-21-13-15(16(22-18)14-5-2-1-3-6-14)17(24)23-10-8-19(9-11-23)7-4-12-25-19/h1-3,5-6,13H,4,7-12H2,(H2,20,21,22).
What are the key properties of (2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
(2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 56871035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).