1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane

C15H21N5 — CID 90265129

IUPAC1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane
SMILESCN1CCCC12CCCN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C15H21N5/c1-19-8-2-5-15(19)6-3-9-20(10-15)14-12-4-7-16-13(12)17-11-18-14/h4,7,11H,2-3,5-6,8-10H2,1H3,(H,16,17,18)
InChIKeyVIZOEIXVZUGTGB-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.02
Rot. Bonds1

About 1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane

1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane (PubChem CID 90265129) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane
PubChem CID90265129
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane
SMILESCN1CCCC12CCCN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C15H21N5/c1-19-8-2-5-15(19)6-3-9-20(10-15)14-12-4-7-16-13(12)17-11-18-14/h4,7,11H,2-3,5-6,8-10H2,1H3,(H,16,17,18)
InChIKeyVIZOEIXVZUGTGB-UHFFFAOYSA-N
XLogP2.02
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane?
The IUPAC name of 1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane (CID 90265129) is 1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane is CN1CCCC12CCCN(c1ncnc3[nH]ccc13)C2.
What is the InChIKey of 1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane?
The InChIKey is VIZOEIXVZUGTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19-8-2-5-15(19)6-3-9-20(10-15)14-12-4-7-16-13(12)17-11-18-14/h4,7,11H,2-3,5-6,8-10H2,1H3,(H,16,17,18).
What are the key properties of 1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane?
1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane has a molecular weight of 271.37 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 90265129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).