N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine

C9H13Cl2N3 — CID 90303688

IUPACN-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine
SMILESCN(c1cc(Cl)nc(Cl)n1)C(C)(C)C
InChIInChI=1S/C9H13Cl2N3/c1-9(2,3)14(4)7-5-6(10)12-8(11)13-7/h5H,1-4H3
InChIKeyLEVJKENYGZKMMV-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.02
Rot. Bonds1

About N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine

N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine (PubChem CID 90303688) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine
PubChem CID90303688
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC NameN-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine
SMILESCN(c1cc(Cl)nc(Cl)n1)C(C)(C)C
InChIInChI=1S/C9H13Cl2N3/c1-9(2,3)14(4)7-5-6(10)12-8(11)13-7/h5H,1-4H3
InChIKeyLEVJKENYGZKMMV-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine (CID 90303688) is N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine is CN(c1cc(Cl)nc(Cl)n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine?
The InChIKey is LEVJKENYGZKMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3/c1-9(2,3)14(4)7-5-6(10)12-8(11)13-7/h5H,1-4H3.
What are the key properties of N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine?
N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine has a molecular weight of 234.13 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-dichloro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 90303688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).