N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine

C19H26N4O3 — CID 133485329

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine
SMILESCOc1cc(OC)cc(N2CCC(Nc3cncc(OC(C)C)n3)C2)c1
InChIInChI=1S/C19H26N4O3/c1-13(2)26-19-11-20-10-18(22-19)21-14-5-6-23(12-14)15-7-16(24-3)9-17(8-15)25-4/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,22)
InChIKeyLVNMVVUIHFIFAN-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.97
Rot. Bonds7

About N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine (PubChem CID 133485329) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine
PubChem CID133485329
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine
SMILESCOc1cc(OC)cc(N2CCC(Nc3cncc(OC(C)C)n3)C2)c1
InChIInChI=1S/C19H26N4O3/c1-13(2)26-19-11-20-10-18(22-19)21-14-5-6-23(12-14)15-7-16(24-3)9-17(8-15)25-4/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,22)
InChIKeyLVNMVVUIHFIFAN-UHFFFAOYSA-N
XLogP2.97
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine (CID 133485329) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine is COc1cc(OC)cc(N2CCC(Nc3cncc(OC(C)C)n3)C2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine?
The InChIKey is LVNMVVUIHFIFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)26-19-11-20-10-18(22-19)21-14-5-6-23(12-14)15-7-16(24-3)9-17(8-15)25-4/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine has a molecular weight of 358.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133485329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).