2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine

C11H18ClN3 — CID 62482205

IUPAC2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)CC(C)(C)C)nc(Cl)n1
InChIInChI=1S/C11H18ClN3/c1-8-6-9(14-10(12)13-8)15(5)7-11(2,3)4/h6H,7H2,1-5H3
InChIKeyMKRSTXJUWZTODE-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.92
Rot. Bonds2

About 2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine

2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 62482205) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID62482205
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)CC(C)(C)C)nc(Cl)n1
InChIInChI=1S/C11H18ClN3/c1-8-6-9(14-10(12)13-8)15(5)7-11(2,3)4/h6H,7H2,1-5H3
InChIKeyMKRSTXJUWZTODE-UHFFFAOYSA-N
XLogP2.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine (CID 62482205) is 2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)CC(C)(C)C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is MKRSTXJUWZTODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8-6-9(14-10(12)13-8)15(5)7-11(2,3)4/h6H,7H2,1-5H3.
What are the key properties of 2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine?
2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62482205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).