6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione

C16H17ClN6O3 — CID 118598961

IUPAC6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione
SMILESCC1(C)OCCC12NC(=O)c1c(Cl)cc(Nc3cc(N)ncn3)c(=O)n12
InChIInChI=1S/C16H17ClN6O3/c1-15(2)16(3-4-26-15)22-13(24)12-8(17)5-9(14(25)23(12)16)21-11-6-10(18)19-7-20-11/h5-7H,3-4H2,1-2H3,(H,22,24)(H3,18,19,20,21)
InChIKeyUYMXOPFHLSAUQY-UHFFFAOYSA-N
MW376.80 g/mol
LogP1.21
Rot. Bonds2

About 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione

6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione (PubChem CID 118598961) has the molecular formula C16H17ClN6O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione.

Molecular Properties

Compound Name6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione
PubChem CID118598961
Molecular FormulaC16H17ClN6O3
Molecular Weight376.80 g/mol
Exact Mass376.11
IUPAC Name6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione
SMILESCC1(C)OCCC12NC(=O)c1c(Cl)cc(Nc3cc(N)ncn3)c(=O)n12
InChIInChI=1S/C16H17ClN6O3/c1-15(2)16(3-4-26-15)22-13(24)12-8(17)5-9(14(25)23(12)16)21-11-6-10(18)19-7-20-11/h5-7H,3-4H2,1-2H3,(H,22,24)(H3,18,19,20,21)
InChIKeyUYMXOPFHLSAUQY-UHFFFAOYSA-N
XLogP1.21
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione?
The IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione (CID 118598961) is 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione.
What is the SMILES notation for 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione?
The canonical SMILES for 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione is CC1(C)OCCC12NC(=O)c1c(Cl)cc(Nc3cc(N)ncn3)c(=O)n12.
What is the InChIKey of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione?
The InChIKey is UYMXOPFHLSAUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O3/c1-15(2)16(3-4-26-15)22-13(24)12-8(17)5-9(14(25)23(12)16)21-11-6-10(18)19-7-20-11/h5-7H,3-4H2,1-2H3,(H,22,24)(H3,18,19,20,21).
What are the key properties of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione?
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione has a molecular weight of 376.80 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione is sourced from PubChem (CID 118598961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).