1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea

C16H25N5O2 — CID 118740813

IUPAC1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea
SMILESCNC(=O)NCC1CCC2(CCN(c3ncccn3)CC2)CO1
InChIInChI=1S/C16H25N5O2/c1-17-15(22)20-11-13-3-4-16(12-23-13)5-9-21(10-6-16)14-18-7-2-8-19-14/h2,7-8,13H,3-6,9-12H2,1H3,(H2,17,20,22)
InChIKeyDHGQGIPIERVMLI-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.17
Rot. Bonds3

About 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea

1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea (PubChem CID 118740813) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea
PubChem CID118740813
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea
SMILESCNC(=O)NCC1CCC2(CCN(c3ncccn3)CC2)CO1
InChIInChI=1S/C16H25N5O2/c1-17-15(22)20-11-13-3-4-16(12-23-13)5-9-21(10-6-16)14-18-7-2-8-19-14/h2,7-8,13H,3-6,9-12H2,1H3,(H2,17,20,22)
InChIKeyDHGQGIPIERVMLI-UHFFFAOYSA-N
XLogP1.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea with MolForge

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Related Compounds

2-Methoxy-1-(2-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234225
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
1-(Oxolan-2-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51081506
N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
CID 97399487
4-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97451007
9-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471364
N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 118738935
N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 118738936
9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 118738938
(9-Pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone
CID 118739174
1,1-Dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739194

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea (CID 118740813) is 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea is CNC(=O)NCC1CCC2(CCN(c3ncccn3)CC2)CO1.
What is the InChIKey of 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea?
The InChIKey is DHGQGIPIERVMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-17-15(22)20-11-13-3-4-16(12-23-13)5-9-21(10-6-16)14-18-7-2-8-19-14/h2,7-8,13H,3-6,9-12H2,1H3,(H2,17,20,22).
What are the key properties of 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea?
1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea is sourced from PubChem (CID 118740813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).