(4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

C21H26N4O2 — CID 3233116

IUPAC(4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCN(c4ncccn4)C3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-27-18-6-4-17(5-7-18)19(26)24-14-9-21(10-15-24)8-2-13-25(16-21)20-22-11-3-12-23-20/h3-7,11-12H,2,8-10,13-16H2,1H3
InChIKeyOZKGZHLPCAKGEB-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.01
Rot. Bonds3

About (4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

(4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 3233116) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID3233116
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name(4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCN(c4ncccn4)C3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-27-18-6-4-17(5-7-18)19(26)24-14-9-21(10-15-24)8-2-13-25(16-21)20-22-11-3-12-23-20/h3-7,11-12H,2,8-10,13-16H2,1H3
InChIKeyOZKGZHLPCAKGEB-UHFFFAOYSA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 3233116) is (4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is COc1ccc(C(=O)N2CCC3(CCCN(c4ncccn4)C3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is OZKGZHLPCAKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-27-18-6-4-17(5-7-18)19(26)24-14-9-21(10-15-24)8-2-13-25(16-21)20-22-11-3-12-23-20/h3-7,11-12H,2,8-10,13-16H2,1H3.
What are the key properties of (4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
(4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 366.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 3233116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).