N,2-ditert-butyl-6-chloropyrimidin-4-amine

C12H20ClN3 — CID 80948203

IUPACN,2-ditert-butyl-6-chloropyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C12H20ClN3/c1-11(2,3)10-14-8(13)7-9(15-10)16-12(4,5)6/h7H,1-6H3,(H,14,15,16)
InChIKeyUFNPUSNMAUEDTI-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.64
Rot. Bonds1

About N,2-ditert-butyl-6-chloropyrimidin-4-amine

N,2-ditert-butyl-6-chloropyrimidin-4-amine (PubChem CID 80948203) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N,2-ditert-butyl-6-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN,2-ditert-butyl-6-chloropyrimidin-4-amine
PubChem CID80948203
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN,2-ditert-butyl-6-chloropyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C12H20ClN3/c1-11(2,3)10-14-8(13)7-9(15-10)16-12(4,5)6/h7H,1-6H3,(H,14,15,16)
InChIKeyUFNPUSNMAUEDTI-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-ditert-butyl-6-chloropyrimidin-4-amine?
The IUPAC name of N,2-ditert-butyl-6-chloropyrimidin-4-amine (CID 80948203) is N,2-ditert-butyl-6-chloropyrimidin-4-amine.
What is the SMILES notation for N,2-ditert-butyl-6-chloropyrimidin-4-amine?
The canonical SMILES for N,2-ditert-butyl-6-chloropyrimidin-4-amine is CC(C)(C)Nc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of N,2-ditert-butyl-6-chloropyrimidin-4-amine?
The InChIKey is UFNPUSNMAUEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-11(2,3)10-14-8(13)7-9(15-10)16-12(4,5)6/h7H,1-6H3,(H,14,15,16).
What are the key properties of N,2-ditert-butyl-6-chloropyrimidin-4-amine?
N,2-ditert-butyl-6-chloropyrimidin-4-amine has a molecular weight of 241.77 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-ditert-butyl-6-chloropyrimidin-4-amine is sourced from PubChem (CID 80948203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).