acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol

C17H26N6O2 — CID 142548626

IUPACacetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol
SMILESC#C.CO.Cc1nc(N)c2c(C(N)=O)cn(C3CCC(CN)C3)c2n1
InChIInChI=1S/C14H20N6O.C2H2.CH4O/c1-7-18-12(16)11-10(13(17)21)6-20(14(11)19-7)9-3-2-8(4-9)5-15;2*1-2/h6,8-9H,2-5,15H2,1H3,(H2,17,21)(H2,16,18,19);1-2H;2H,1H3
InChIKeyQQMVBAXAHCNYHL-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.58
Rot. Bonds3

About acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol

acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol (PubChem CID 142548626) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol.

Molecular Properties

Compound Nameacetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol
PubChem CID142548626
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Nameacetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol
SMILESC#C.CO.Cc1nc(N)c2c(C(N)=O)cn(C3CCC(CN)C3)c2n1
InChIInChI=1S/C14H20N6O.C2H2.CH4O/c1-7-18-12(16)11-10(13(17)21)6-20(14(11)19-7)9-3-2-8(4-9)5-15;2*1-2/h6,8-9H,2-5,15H2,1H3,(H2,17,21)(H2,16,18,19);1-2H;2H,1H3
InChIKeyQQMVBAXAHCNYHL-UHFFFAOYSA-N
XLogP0.58
TPSA146.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 510434
4-amino-7-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 489914
4-Amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 510429
4-Amino-7-propyl-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 510436
4-amino-N-[(Z)-1,3-diaminobut-2-enylidene]-7-(3-fluoro-3-methylcyclopentyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 145272298
4-amino-7-[(2S)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134823795
4-Amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 102126822
4-Amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 118101334
4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 126564478
N-(2-hydroxyethyl)-7-methyl-4-[[(3R)-1-propanoylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 132126171
4-amino-N-[(Z)-1,3-diaminobut-2-enylidene]-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 132263688
4-Amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 144849123

Frequently Asked Questions

What is the IUPAC name of acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol?
The IUPAC name of acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol (CID 142548626) is acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol.
What is the SMILES notation for acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol?
The canonical SMILES for acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol is C#C.CO.Cc1nc(N)c2c(C(N)=O)cn(C3CCC(CN)C3)c2n1.
What is the InChIKey of acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol?
The InChIKey is QQMVBAXAHCNYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.C2H2.CH4O/c1-7-18-12(16)11-10(13(17)21)6-20(14(11)19-7)9-3-2-8(4-9)5-15;2*1-2/h6,8-9H,2-5,15H2,1H3,(H2,17,21)(H2,16,18,19);1-2H;2H,1H3.
What are the key properties of acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol?
acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol has a molecular weight of 346.44 g/mol, XLogP of 0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4-amino-7-[3-(aminomethyl)cyclopentyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;methanol is sourced from PubChem (CID 142548626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).