5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione

C16H26N4O2 — CID 56704870

IUPAC5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CCNC2CCC3(CCNCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H26N4O2/c21-14-12(11-19-15(22)20-14)3-8-18-13-1-4-16(5-2-13)6-9-17-10-7-16/h11,13,17-18H,1-10H2,(H2,19,20,21,22)
InChIKeyOTJALOBXDGWSCV-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.51
Rot. Bonds4

About 5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione

5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56704870) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID56704870
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CCNC2CCC3(CCNCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H26N4O2/c21-14-12(11-19-15(22)20-14)3-8-18-13-1-4-16(5-2-13)6-9-17-10-7-16/h11,13,17-18H,1-10H2,(H2,19,20,21,22)
InChIKeyOTJALOBXDGWSCV-UHFFFAOYSA-N
XLogP0.51
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione (CID 56704870) is 5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CCNC2CCC3(CCNCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OTJALOBXDGWSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-14-12(11-19-15(22)20-14)3-8-18-13-1-4-16(5-2-13)6-9-17-10-7-16/h11,13,17-18H,1-10H2,(H2,19,20,21,22).
What are the key properties of 5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione?
5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 306.41 g/mol, XLogP of 0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-azaspiro[5.5]undecan-9-ylamino)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56704870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).