2-amino-N-tert-butyl-6-chloropurine-9-carboxamide

C10H13ClN6O — CID 87502615

IUPAC2-amino-N-tert-butyl-6-chloropurine-9-carboxamide
SMILESCC(C)(C)NC(=O)n1cnc2c(Cl)nc(N)nc21
InChIInChI=1S/C10H13ClN6O/c1-10(2,3)16-9(18)17-4-13-5-6(11)14-8(12)15-7(5)17/h4H,1-3H3,(H,16,18)(H2,12,14,15)
InChIKeyIFOFMHVNFXPTGQ-UHFFFAOYSA-N
MW268.71 g/mol
LogP1.42
Rot. Bonds

About 2-amino-N-tert-butyl-6-chloropurine-9-carboxamide

2-amino-N-tert-butyl-6-chloropurine-9-carboxamide (PubChem CID 87502615) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 2-amino-N-tert-butyl-6-chloropurine-9-carboxamide.

Molecular Properties

Compound Name2-amino-N-tert-butyl-6-chloropurine-9-carboxamide
PubChem CID87502615
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name2-amino-N-tert-butyl-6-chloropurine-9-carboxamide
SMILESCC(C)(C)NC(=O)n1cnc2c(Cl)nc(N)nc21
InChIInChI=1S/C10H13ClN6O/c1-10(2,3)16-9(18)17-4-13-5-6(11)14-8(12)15-7(5)17/h4H,1-3H3,(H,16,18)(H2,12,14,15)
InChIKeyIFOFMHVNFXPTGQ-UHFFFAOYSA-N
XLogP1.42
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butyl-6-chloropurine-9-carboxamide?
The IUPAC name of 2-amino-N-tert-butyl-6-chloropurine-9-carboxamide (CID 87502615) is 2-amino-N-tert-butyl-6-chloropurine-9-carboxamide.
What is the SMILES notation for 2-amino-N-tert-butyl-6-chloropurine-9-carboxamide?
The canonical SMILES for 2-amino-N-tert-butyl-6-chloropurine-9-carboxamide is CC(C)(C)NC(=O)n1cnc2c(Cl)nc(N)nc21.
What is the InChIKey of 2-amino-N-tert-butyl-6-chloropurine-9-carboxamide?
The InChIKey is IFOFMHVNFXPTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-10(2,3)16-9(18)17-4-13-5-6(11)14-8(12)15-7(5)17/h4H,1-3H3,(H,16,18)(H2,12,14,15).
What are the key properties of 2-amino-N-tert-butyl-6-chloropurine-9-carboxamide?
2-amino-N-tert-butyl-6-chloropurine-9-carboxamide has a molecular weight of 268.71 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butyl-6-chloropurine-9-carboxamide is sourced from PubChem (CID 87502615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).