6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine

C21H33N5O — CID 58804553

IUPAC6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine
SMILESCCC(CC)Oc1nc(C)c(-c2cc(C)c(NC(C)C)nc2C)nc1NC
InChIInChI=1S/C21H33N5O/c1-9-16(10-2)27-21-20(22-8)26-18(15(7)25-21)17-11-13(5)19(23-12(3)4)24-14(17)6/h11-12,16H,9-10H2,1-8H3,(H,22,26)(H,23,24)
InChIKeyIGLPCGYRLNQFJI-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.89
Rot. Bonds8

About 6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine

6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine (PubChem CID 58804553) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine.

Molecular Properties

Compound Name6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine
PubChem CID58804553
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine
SMILESCCC(CC)Oc1nc(C)c(-c2cc(C)c(NC(C)C)nc2C)nc1NC
InChIInChI=1S/C21H33N5O/c1-9-16(10-2)27-21-20(22-8)26-18(15(7)25-21)17-11-13(5)19(23-12(3)4)24-14(17)6/h11-12,16H,9-10H2,1-8H3,(H,22,26)(H,23,24)
InChIKeyIGLPCGYRLNQFJI-UHFFFAOYSA-N
XLogP4.89
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine?
The IUPAC name of 6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine (CID 58804553) is 6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine.
What is the SMILES notation for 6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine?
The canonical SMILES for 6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine is CCC(CC)Oc1nc(C)c(-c2cc(C)c(NC(C)C)nc2C)nc1NC.
What is the InChIKey of 6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine?
The InChIKey is IGLPCGYRLNQFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-9-16(10-2)27-21-20(22-8)26-18(15(7)25-21)17-11-13(5)19(23-12(3)4)24-14(17)6/h11-12,16H,9-10H2,1-8H3,(H,22,26)(H,23,24).
What are the key properties of 6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine?
6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine has a molecular weight of 371.53 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,5-dimethyl-6-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine is sourced from PubChem (CID 58804553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).