1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone

C19H29N5O2 — CID 110139183

IUPAC1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone
SMILESCc1cc(N(C)C2CC3(CCN(C(=O)CN4CCOCC4)C3)C2)ncn1
InChIInChI=1S/C19H29N5O2/c1-15-9-17(21-14-20-15)22(2)16-10-19(11-16)3-4-24(13-19)18(25)12-23-5-7-26-8-6-23/h9,14,16H,3-8,10-13H2,1-2H3
InChIKeyBQFYFANEPLHTEV-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.93
Rot. Bonds4

About 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone

1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone (PubChem CID 110139183) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone
PubChem CID110139183
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone
SMILESCc1cc(N(C)C2CC3(CCN(C(=O)CN4CCOCC4)C3)C2)ncn1
InChIInChI=1S/C19H29N5O2/c1-15-9-17(21-14-20-15)22(2)16-10-19(11-16)3-4-24(13-19)18(25)12-23-5-7-26-8-6-23/h9,14,16H,3-8,10-13H2,1-2H3
InChIKeyBQFYFANEPLHTEV-UHFFFAOYSA-N
XLogP0.93
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone with MolForge

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Related Compounds

(4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171333775
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126890734
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone
CID 110139378
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxyazepan-1-yl]ethanone
CID 126890732
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone
CID 110139275
6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126889556
isoquinolin-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889202
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007709
1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 91771584
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone
CID 110139235
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178
1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone
CID 125023420

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone (CID 110139183) is 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone is Cc1cc(N(C)C2CC3(CCN(C(=O)CN4CCOCC4)C3)C2)ncn1.
What is the InChIKey of 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone?
The InChIKey is BQFYFANEPLHTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-15-9-17(21-14-20-15)22(2)16-10-19(11-16)3-4-24(13-19)18(25)12-23-5-7-26-8-6-23/h9,14,16H,3-8,10-13H2,1-2H3.
What are the key properties of 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone?
1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone has a molecular weight of 359.47 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 110139183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).