11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

C17H29N5O — CID 131925926

IUPAC11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
SMILESCOc1ncc(CN2CCCN(C)C3(CCN(C)CC3)C2)cn1
InChIInChI=1S/C17H29N5O/c1-20-9-5-17(6-10-20)14-22(8-4-7-21(17)2)13-15-11-18-16(23-3)19-12-15/h11-12H,4-10,13-14H2,1-3H3
InChIKeyJPUFEZPGLBEYMJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.09
Rot. Bonds3

About 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane (PubChem CID 131925926) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
PubChem CID131925926
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
SMILESCOc1ncc(CN2CCCN(C)C3(CCN(C)CC3)C2)cn1
InChIInChI=1S/C17H29N5O/c1-20-9-5-17(6-10-20)14-22(8-4-7-21(17)2)13-15-11-18-16(23-3)19-12-15/h11-12H,4-10,13-14H2,1-3H3
InChIKeyJPUFEZPGLBEYMJ-UHFFFAOYSA-N
XLogP1.09
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane with MolForge

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Related Compounds

3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane
CID 56746498
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
CID 131893140
2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine
CID 169307476
11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56757492
1-[(2-methoxypyrimidin-5-yl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 131901461
2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 175655763
11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754580
2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 163258238
trifluoro-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]boranuide
CID 169307345
(5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 110156248
1-methyl-4-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-1,4-diazepane
CID 125008727

Frequently Asked Questions

What is the IUPAC name of 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The IUPAC name of 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane (CID 131925926) is 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane.
What is the SMILES notation for 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The canonical SMILES for 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane is COc1ncc(CN2CCCN(C)C3(CCN(C)CC3)C2)cn1.
What is the InChIKey of 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The InChIKey is JPUFEZPGLBEYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-20-9-5-17(6-10-20)14-22(8-4-7-21(17)2)13-15-11-18-16(23-3)19-12-15/h11-12H,4-10,13-14H2,1-3H3.
What are the key properties of 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane has a molecular weight of 319.45 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane is sourced from PubChem (CID 131925926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).