N-tert-butyl-2,5,6-trichloropyrimidin-4-amine

C8H10Cl3N3 — CID 2276879

IUPACN-tert-butyl-2,5,6-trichloropyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C8H10Cl3N3/c1-8(2,3)14-6-4(9)5(10)12-7(11)13-6/h1-3H3,(H,12,13,14)
InChIKeyBNKMIPPLVGXMKG-UHFFFAOYSA-N
MW254.55 g/mol
LogP3.65
Rot. Bonds1

About N-tert-butyl-2,5,6-trichloropyrimidin-4-amine

N-tert-butyl-2,5,6-trichloropyrimidin-4-amine (PubChem CID 2276879) has the molecular formula C8H10Cl3N3 and a molecular weight of 254.55 g/mol. Its IUPAC name is N-tert-butyl-2,5,6-trichloropyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2,5,6-trichloropyrimidin-4-amine
PubChem CID2276879
Molecular FormulaC8H10Cl3N3
Molecular Weight254.55 g/mol
Exact Mass252.99
IUPAC NameN-tert-butyl-2,5,6-trichloropyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C8H10Cl3N3/c1-8(2,3)14-6-4(9)5(10)12-7(11)13-6/h1-3H3,(H,12,13,14)
InChIKeyBNKMIPPLVGXMKG-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,5,6-trichloropyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2,5,6-trichloropyrimidin-4-amine (CID 2276879) is N-tert-butyl-2,5,6-trichloropyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2,5,6-trichloropyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2,5,6-trichloropyrimidin-4-amine is CC(C)(C)Nc1nc(Cl)nc(Cl)c1Cl.
What is the InChIKey of N-tert-butyl-2,5,6-trichloropyrimidin-4-amine?
The InChIKey is BNKMIPPLVGXMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl3N3/c1-8(2,3)14-6-4(9)5(10)12-7(11)13-6/h1-3H3,(H,12,13,14).
What are the key properties of N-tert-butyl-2,5,6-trichloropyrimidin-4-amine?
N-tert-butyl-2,5,6-trichloropyrimidin-4-amine has a molecular weight of 254.55 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,5,6-trichloropyrimidin-4-amine is sourced from PubChem (CID 2276879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).