9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane

C19H30N4O — CID 135112086

IUPAC9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCc1nc(N2CCCC2)nc(N2CCC3(CCOCC3)CC2)c1C
InChIInChI=1S/C19H30N4O/c1-15-16(2)20-18(23-9-3-4-10-23)21-17(15)22-11-5-19(6-12-22)7-13-24-14-8-19/h3-14H2,1-2H3
InChIKeyDHJMNTXVFSMRPH-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.09
Rot. Bonds2

About 9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane

9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 135112086) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID135112086
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCc1nc(N2CCCC2)nc(N2CCC3(CCOCC3)CC2)c1C
InChIInChI=1S/C19H30N4O/c1-15-16(2)20-18(23-9-3-4-10-23)21-17(15)22-11-5-19(6-12-22)7-13-24-14-8-19/h3-14H2,1-2H3
InChIKeyDHJMNTXVFSMRPH-UHFFFAOYSA-N
XLogP3.09
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5S)-9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 165420578
(3R,4S)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methylpiperidine-3,4-diol
CID 133122173
1-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 56913328
2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride
CID 154907691
4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile
CID 56916954
(4aS,8aS)-7-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide
CID 133117375
4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 135111140
N,5,6-trimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 62192217
7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71971617
(3S,4R)-9-(4,5,6-trimethylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 163311455
(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870
9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479181

Frequently Asked Questions

What is the IUPAC name of 9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane (CID 135112086) is 9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane is Cc1nc(N2CCCC2)nc(N2CCC3(CCOCC3)CC2)c1C.
What is the InChIKey of 9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is DHJMNTXVFSMRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15-16(2)20-18(23-9-3-4-10-23)21-17(15)22-11-5-19(6-12-22)7-13-24-14-8-19/h3-14H2,1-2H3.
What are the key properties of 9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane?
9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 330.48 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 135112086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).