2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine

C12H21N3 — CID 63560396

IUPAC2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(C(C)CC)nc(NC)c1C
InChIInChI=1S/C12H21N3/c1-6-8(3)11-14-10(7-2)9(4)12(13-5)15-11/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyJYYHCZPZRNHABC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.90
Rot. Bonds4

About 2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine

2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 63560396) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID63560396
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(C(C)CC)nc(NC)c1C
InChIInChI=1S/C12H21N3/c1-6-8(3)11-14-10(7-2)9(4)12(13-5)15-11/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyJYYHCZPZRNHABC-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine (CID 63560396) is 2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(C(C)CC)nc(NC)c1C.
What is the InChIKey of 2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is JYYHCZPZRNHABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-8(3)11-14-10(7-2)9(4)12(13-5)15-11/h8H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine?
2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63560396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).