2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane]

C13H16ClN5 — CID 138598186

IUPAC2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane]
SMILESClc1ncc2c(n1)N1C(=NCC13CCCCC3)CN2
InChIInChI=1S/C13H16ClN5/c14-12-16-6-9-11(18-12)19-10(7-15-9)17-8-13(19)4-2-1-3-5-13/h6,15H,1-5,7-8H2
InChIKeyDVWBWKUKDQYCSR-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.48
Rot. Bonds

About 2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane]

2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane] (PubChem CID 138598186) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane].

Molecular Properties

Compound Name2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane]
PubChem CID138598186
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane]
SMILESClc1ncc2c(n1)N1C(=NCC13CCCCC3)CN2
InChIInChI=1S/C13H16ClN5/c14-12-16-6-9-11(18-12)19-10(7-15-9)17-8-13(19)4-2-1-3-5-13/h6,15H,1-5,7-8H2
InChIKeyDVWBWKUKDQYCSR-UHFFFAOYSA-N
XLogP2.48
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane]?
The IUPAC name of 2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane] (CID 138598186) is 2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane].
What is the SMILES notation for 2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane]?
The canonical SMILES for 2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane] is Clc1ncc2c(n1)N1C(=NCC13CCCCC3)CN2.
What is the InChIKey of 2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane]?
The InChIKey is DVWBWKUKDQYCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c14-12-16-6-9-11(18-12)19-10(7-15-9)17-8-13(19)4-2-1-3-5-13/h6,15H,1-5,7-8H2.
What are the key properties of 2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane]?
2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane] has a molecular weight of 277.76 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane] is sourced from PubChem (CID 138598186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).