ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine

C13H23N5 — CID 162382237

IUPACethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine
SMILESC1CCNC1.CC.Cc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C7H8N4.C4H9N.C2H6/c1-4-2-9-7-5(4)6(8)10-3-11-7;1-2-4-5-3-1;1-2/h2-3H,1H3,(H3,8,9,10,11);5H,1-4H2;1-2H3
InChIKeyAYBZYUMNHSLBQE-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.24
Rot. Bonds

About ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine

ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine (PubChem CID 162382237) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine.

Molecular Properties

Compound Nameethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine
PubChem CID162382237
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Nameethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine
SMILESC1CCNC1.CC.Cc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C7H8N4.C4H9N.C2H6/c1-4-2-9-7-5(4)6(8)10-3-11-7;1-2-4-5-3-1;1-2/h2-3H,1H3,(H3,8,9,10,11);5H,1-4H2;1-2H3
InChIKeyAYBZYUMNHSLBQE-UHFFFAOYSA-N
XLogP2.24
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine?
The IUPAC name of ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine (CID 162382237) is ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine.
What is the SMILES notation for ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine?
The canonical SMILES for ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine is C1CCNC1.CC.Cc1c[nH]c2ncnc(N)c12.
What is the InChIKey of ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine?
The InChIKey is AYBZYUMNHSLBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.C4H9N.C2H6/c1-4-2-9-7-5(4)6(8)10-3-11-7;1-2-4-5-3-1;1-2/h2-3H,1H3,(H3,8,9,10,11);5H,1-4H2;1-2H3.
What are the key properties of ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine?
ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine has a molecular weight of 249.36 g/mol, XLogP of 2.24, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine is sourced from PubChem (CID 162382237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).