2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine

C12H21N3 — CID 62192152

IUPAC2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-6-7-9-8-10(13-5)15-11(14-9)12(2,3)4/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyQUKZLMWTJNUDIY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.77
Rot. Bonds3

About 2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine

2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 62192152) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine
PubChem CID62192152
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-6-7-9-8-10(13-5)15-11(14-9)12(2,3)4/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyQUKZLMWTJNUDIY-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine (CID 62192152) is 2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is QUKZLMWTJNUDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-7-9-8-10(13-5)15-11(14-9)12(2,3)4/h8H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine?
2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62192152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).