N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine

C15H26N4O — CID 164640197

IUPACN-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine
SMILESCOc1nccnc1N[C@@H](CN1CCCC1)C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-15(2,3)12(11-19-9-5-6-10-19)18-13-14(20-4)17-8-7-16-13/h7-8,12H,5-6,9-11H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyFPNZOPCEIXZNSN-LBPRGKRZSA-N
MW278.40 g/mol
LogP2.41
Rot. Bonds5

About N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine

N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine (PubChem CID 164640197) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine
PubChem CID164640197
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine
SMILESCOc1nccnc1N[C@@H](CN1CCCC1)C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-15(2,3)12(11-19-9-5-6-10-19)18-13-14(20-4)17-8-7-16-13/h7-8,12H,5-6,9-11H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyFPNZOPCEIXZNSN-LBPRGKRZSA-N
XLogP2.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine?
The IUPAC name of N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine (CID 164640197) is N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine.
What is the SMILES notation for N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine?
The canonical SMILES for N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine is COc1nccnc1N[C@@H](CN1CCCC1)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine?
The InChIKey is FPNZOPCEIXZNSN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)12(11-19-9-5-6-10-19)18-13-14(20-4)17-8-7-16-13/h7-8,12H,5-6,9-11H2,1-4H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine?
N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-3-methoxypyrazin-2-amine is sourced from PubChem (CID 164640197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).