N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine

C12H21N3 — CID 45094856

IUPACN-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine
SMILESCCc1cnc(CC)c(N[C@H](C)CC)n1
InChIInChI=1S/C12H21N3/c1-5-9(4)14-12-11(7-3)13-8-10(6-2)15-12/h8-9H,5-7H2,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyBHTYUHDKIKTWNL-SECBINFHSA-N
MW207.32 g/mol
LogP2.81
Rot. Bonds5

About N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine

N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine (PubChem CID 45094856) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine
PubChem CID45094856
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine
SMILESCCc1cnc(CC)c(N[C@H](C)CC)n1
InChIInChI=1S/C12H21N3/c1-5-9(4)14-12-11(7-3)13-8-10(6-2)15-12/h8-9H,5-7H2,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyBHTYUHDKIKTWNL-SECBINFHSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine (CID 45094856) is N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine is CCc1cnc(CC)c(N[C@H](C)CC)n1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine?
The InChIKey is BHTYUHDKIKTWNL-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-9(4)14-12-11(7-3)13-8-10(6-2)15-12/h8-9H,5-7H2,1-4H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine?
N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3,6-diethylpyrazin-2-amine is sourced from PubChem (CID 45094856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).