N-tert-butyl-2,6-dimethylpyrimidin-4-amine

C10H17N3 — CID 21059233

IUPACN-tert-butyl-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NC(C)(C)C)nc(C)n1
InChIInChI=1S/C10H17N3/c1-7-6-9(12-8(2)11-7)13-10(3,4)5/h6H,1-5H3,(H,11,12,13)
InChIKeyVXUIVCXAILSXKI-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.30
Rot. Bonds1

About N-tert-butyl-2,6-dimethylpyrimidin-4-amine

N-tert-butyl-2,6-dimethylpyrimidin-4-amine (PubChem CID 21059233) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-tert-butyl-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2,6-dimethylpyrimidin-4-amine
PubChem CID21059233
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-tert-butyl-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NC(C)(C)C)nc(C)n1
InChIInChI=1S/C10H17N3/c1-7-6-9(12-8(2)11-7)13-10(3,4)5/h6H,1-5H3,(H,11,12,13)
InChIKeyVXUIVCXAILSXKI-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2,6-dimethylpyrimidin-4-amine (CID 21059233) is N-tert-butyl-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2,6-dimethylpyrimidin-4-amine is Cc1cc(NC(C)(C)C)nc(C)n1.
What is the InChIKey of N-tert-butyl-2,6-dimethylpyrimidin-4-amine?
The InChIKey is VXUIVCXAILSXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-6-9(12-8(2)11-7)13-10(3,4)5/h6H,1-5H3,(H,11,12,13).
What are the key properties of N-tert-butyl-2,6-dimethylpyrimidin-4-amine?
N-tert-butyl-2,6-dimethylpyrimidin-4-amine has a molecular weight of 179.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 21059233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).