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

C13H24N4 — CID 144752647

IUPACbutane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC.CCCC.Cc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C7H8N4.C4H10.C2H6/c1-4-2-9-7-5(4)6(8)10-3-11-7;1-3-4-2;1-2/h2-3H,1H3,(H3,8,9,10,11);3-4H2,1-2H3;1-2H3
InChIKeyBOTJVQPEECMLOT-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.68
Rot. Bonds1

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

butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 144752647) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Namebutane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID144752647
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Namebutane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC.CCCC.Cc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C7H8N4.C4H10.C2H6/c1-4-2-9-7-5(4)6(8)10-3-11-7;1-3-4-2;1-2/h2-3H,1H3,(H3,8,9,10,11);3-4H2,1-2H3;1-2H3
InChIKeyBOTJVQPEECMLOT-UHFFFAOYSA-N
XLogP3.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 5357765
ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine
CID 162382237
5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine
CID 174580185
5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 150586957
2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 175667994
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 170902019
potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156857458
5-ethynyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 11217389
5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 169464554
5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174832913
(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
CID 130121009
5-(3-methylphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 157196587

Frequently Asked Questions

What is the IUPAC name of butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 144752647) is butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC.CCCC.Cc1c[nH]c2ncnc(N)c12.
What is the InChIKey of butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BOTJVQPEECMLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.C4H10.C2H6/c1-4-2-9-7-5(4)6(8)10-3-11-7;1-3-4-2;1-2/h2-3H,1H3,(H3,8,9,10,11);3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 144752647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).