6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine

C13H23N3 — CID 63891743

IUPAC6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine
SMILESCC(C)(C)Cc1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-12(2,3)8-11-15-9(13(4,5)6)7-10(14)16-11/h7H,8H2,1-6H3,(H2,14,15,16)
InChIKeyOUFSMEBBSYHZAP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.94
Rot. Bonds1

About 6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine

6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine (PubChem CID 63891743) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine
PubChem CID63891743
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine
SMILESCC(C)(C)Cc1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-12(2,3)8-11-15-9(13(4,5)6)7-10(14)16-11/h7H,8H2,1-6H3,(H2,14,15,16)
InChIKeyOUFSMEBBSYHZAP-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine (CID 63891743) is 6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine is CC(C)(C)Cc1nc(N)cc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine?
The InChIKey is OUFSMEBBSYHZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(2,3)8-11-15-9(13(4,5)6)7-10(14)16-11/h7H,8H2,1-6H3,(H2,14,15,16).
What are the key properties of 6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine?
6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 63891743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).