N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine

C18H27N7 — CID 145040953

IUPACN-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCC2CCC(CNc3nc(C)cnc3C)N2)n1
InChIInChI=1S/C18H27N7/c1-11-7-19-13(3)17(23-11)21-9-15-5-6-16(25-15)10-22-18-14(4)20-8-12(2)24-18/h7-8,15-16,25H,5-6,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyPXAKFFIYNNKLGH-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.14
Rot. Bonds6

About N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine

N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 145040953) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine
PubChem CID145040953
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC NameN-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCC2CCC(CNc3nc(C)cnc3C)N2)n1
InChIInChI=1S/C18H27N7/c1-11-7-19-13(3)17(23-11)21-9-15-5-6-16(25-15)10-22-18-14(4)20-8-12(2)24-18/h7-8,15-16,25H,5-6,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyPXAKFFIYNNKLGH-UHFFFAOYSA-N
XLogP2.14
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine (CID 145040953) is N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NCC2CCC(CNc3nc(C)cnc3C)N2)n1.
What is the InChIKey of N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is PXAKFFIYNNKLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-11-7-19-13(3)17(23-11)21-9-15-5-6-16(25-15)10-22-18-14(4)20-8-12(2)24-18/h7-8,15-16,25H,5-6,9-10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine?
N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 341.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-2-yl]methyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 145040953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).