10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

C18H28N4O3 — CID 134070744

IUPAC10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOc1cc(N2CCOCC3(CCN(C4CCOCC4)C3)C2)ncn1
InChIInChI=1S/C18H28N4O3/c1-23-17-10-16(19-14-20-17)22-6-9-25-13-18(12-22)4-5-21(11-18)15-2-7-24-8-3-15/h10,14-15H,2-9,11-13H2,1H3
InChIKeyRLHQSYSSROEVAQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.19
Rot. Bonds3

About 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 134070744) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID134070744
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOc1cc(N2CCOCC3(CCN(C4CCOCC4)C3)C2)ncn1
InChIInChI=1S/C18H28N4O3/c1-23-17-10-16(19-14-20-17)22-6-9-25-13-18(12-22)4-5-21(11-18)15-2-7-24-8-3-15/h10,14-15H,2-9,11-13H2,1H3
InChIKeyRLHQSYSSROEVAQ-UHFFFAOYSA-N
XLogP1.19
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane with MolForge

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Related Compounds

10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 155876656
4-[(4aR,6R,8aS)-8a-(methoxymethyl)-2-(6-methoxypyrimidin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-yl]morpholine
CID 72902890
1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97415473
(5S)-10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472090
4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354487
[(3R)-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95539383
(5R)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384852
4-(6-methoxypyrimidin-4-yl)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131651483
2-(oxan-4-yl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131657279
(4aR,8aS)-4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363005
2-methoxy-7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonane
CID 97451275
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133

Frequently Asked Questions

What is the IUPAC name of 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 134070744) is 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is COc1cc(N2CCOCC3(CCN(C4CCOCC4)C3)C2)ncn1.
What is the InChIKey of 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is RLHQSYSSROEVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-23-17-10-16(19-14-20-17)22-6-9-25-13-18(12-22)4-5-21(11-18)15-2-7-24-8-3-15/h10,14-15H,2-9,11-13H2,1H3.
What are the key properties of 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 348.45 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 134070744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).