7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane

C13H19ClN4 — CID 118221031

IUPAC7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCN1CC2(CCN(Cc3cnc(Cl)nc3)CC2)C1
InChIInChI=1S/C13H19ClN4/c1-17-9-13(10-17)2-4-18(5-3-13)8-11-6-15-12(14)16-7-11/h6-7H,2-5,8-10H2,1H3
InChIKeyHQQTWSMGKQUMDV-UHFFFAOYSA-N
MW266.78 g/mol
LogP1.66
Rot. Bonds2

About 7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane

7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 118221031) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID118221031
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCN1CC2(CCN(Cc3cnc(Cl)nc3)CC2)C1
InChIInChI=1S/C13H19ClN4/c1-17-9-13(10-17)2-4-18(5-3-13)8-11-6-15-12(14)16-7-11/h6-7H,2-5,8-10H2,1H3
InChIKeyHQQTWSMGKQUMDV-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane (CID 118221031) is 7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane is CN1CC2(CCN(Cc3cnc(Cl)nc3)CC2)C1.
What is the InChIKey of 7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is HQQTWSMGKQUMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-17-9-13(10-17)2-4-18(5-3-13)8-11-6-15-12(14)16-7-11/h6-7H,2-5,8-10H2,1H3.
What are the key properties of 7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 266.78 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 118221031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).