3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane

C19H28N6 — CID 154820856

IUPAC3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane
SMILESCc1ccc2ncnc(N3CCCN(C)C4(CCN(C)CC4)C3)c2n1
InChIInChI=1S/C19H28N6/c1-15-5-6-16-17(22-15)18(21-14-20-16)25-10-4-9-24(3)19(13-25)7-11-23(2)12-8-19/h5-6,14H,4,7-13H2,1-3H3
InChIKeyGSNVJVIXEJMMLT-UHFFFAOYSA-N
MW340.48 g/mol
LogP1.94
Rot. Bonds1

About 3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane

3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane (PubChem CID 154820856) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane
PubChem CID154820856
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane
SMILESCc1ccc2ncnc(N3CCCN(C)C4(CCN(C)CC4)C3)c2n1
InChIInChI=1S/C19H28N6/c1-15-5-6-16-17(22-15)18(21-14-20-16)25-10-4-9-24(3)19(13-25)7-11-23(2)12-8-19/h5-6,14H,4,7-13H2,1-3H3
InChIKeyGSNVJVIXEJMMLT-UHFFFAOYSA-N
XLogP1.94
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane?
The IUPAC name of 3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane (CID 154820856) is 3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane.
What is the SMILES notation for 3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane?
The canonical SMILES for 3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane is Cc1ccc2ncnc(N3CCCN(C)C4(CCN(C)CC4)C3)c2n1.
What is the InChIKey of 3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane?
The InChIKey is GSNVJVIXEJMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-15-5-6-16-17(22-15)18(21-14-20-16)25-10-4-9-24(3)19(13-25)7-11-23(2)12-8-19/h5-6,14H,4,7-13H2,1-3H3.
What are the key properties of 3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane?
3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane has a molecular weight of 340.48 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane is sourced from PubChem (CID 154820856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).