N-tert-butyl-4-chloropteridin-2-amine

C10H12ClN5 — CID 82459701

IUPACN-tert-butyl-4-chloropteridin-2-amine
SMILESCC(C)(C)Nc1nc(Cl)c2nccnc2n1
InChIInChI=1S/C10H12ClN5/c1-10(2,3)16-9-14-7(11)6-8(15-9)13-5-4-12-6/h4-5H,1-3H3,(H,13,14,15,16)
InChIKeyYBJXLWIXEBOZPM-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.28
Rot. Bonds1

About N-tert-butyl-4-chloropteridin-2-amine

N-tert-butyl-4-chloropteridin-2-amine (PubChem CID 82459701) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is N-tert-butyl-4-chloropteridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-chloropteridin-2-amine
PubChem CID82459701
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC NameN-tert-butyl-4-chloropteridin-2-amine
SMILESCC(C)(C)Nc1nc(Cl)c2nccnc2n1
InChIInChI=1S/C10H12ClN5/c1-10(2,3)16-9-14-7(11)6-8(15-9)13-5-4-12-6/h4-5H,1-3H3,(H,13,14,15,16)
InChIKeyYBJXLWIXEBOZPM-UHFFFAOYSA-N
XLogP2.28
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloropteridin-2-amine?
The IUPAC name of N-tert-butyl-4-chloropteridin-2-amine (CID 82459701) is N-tert-butyl-4-chloropteridin-2-amine.
What is the SMILES notation for N-tert-butyl-4-chloropteridin-2-amine?
The canonical SMILES for N-tert-butyl-4-chloropteridin-2-amine is CC(C)(C)Nc1nc(Cl)c2nccnc2n1.
What is the InChIKey of N-tert-butyl-4-chloropteridin-2-amine?
The InChIKey is YBJXLWIXEBOZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-10(2,3)16-9-14-7(11)6-8(15-9)13-5-4-12-6/h4-5H,1-3H3,(H,13,14,15,16).
What are the key properties of N-tert-butyl-4-chloropteridin-2-amine?
N-tert-butyl-4-chloropteridin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloropteridin-2-amine is sourced from PubChem (CID 82459701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).