N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine

C12H21N3 — CID 115685847

IUPACN-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC(C)C(C)(C)C)ncn1
InChIInChI=1S/C12H21N3/c1-6-10-7-11(14-8-13-10)15-9(2)12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyARCQCWGTQDPTCN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine

N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine (PubChem CID 115685847) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
PubChem CID115685847
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC(C)C(C)(C)C)ncn1
InChIInChI=1S/C12H21N3/c1-6-10-7-11(14-8-13-10)15-9(2)12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyARCQCWGTQDPTCN-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine (CID 115685847) is N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine is CCc1cc(NC(C)C(C)(C)C)ncn1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine?
The InChIKey is ARCQCWGTQDPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-10-7-11(14-8-13-10)15-9(2)12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine?
N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 115685847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).