5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C10H11N5 — CID 138465830

IUPAC5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1cc(C#CCN)c2c(N)ncnc21
InChIInChI=1S/C10H11N5/c1-15-5-7(3-2-4-11)8-9(12)13-6-14-10(8)15/h5-6H,4,11H2,1H3,(H2,12,13,14)
InChIKeyXKPGPMKSTJKEPJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.14
Rot. Bonds

About 5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 138465830) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID138465830
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1cc(C#CCN)c2c(N)ncnc21
InChIInChI=1S/C10H11N5/c1-15-5-7(3-2-4-11)8-9(12)13-6-14-10(8)15/h5-6H,4,11H2,1H3,(H2,12,13,14)
InChIKeyXKPGPMKSTJKEPJ-UHFFFAOYSA-N
XLogP-0.14
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-[3-(ethylamino)prop-1-ynyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 166552122
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)prop-2-ynyl]prop-2-enamide
CID 166830954
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)prop-2-ynyl]-2,2,2-trifluoroacetamide
CID 138465681
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)prop-2-ynyl]-2-butoxyacetamide
CID 166551972
(2R,3R,4R,5R)-2-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 15956205
3-[4-amino-7-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylcarbamic acid
CID 170376977
7-methyl-5-[2-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 161490335
4-[(2R,3R,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-ethyloxolan-3-yl]oxybutan-2-one
CID 163622545
acetic acid;[(2R,3S,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-ethyloxolan-3-yl] 2,2-dimethylpropanoate
CID 158167602
N-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)prop-2-ynyl]butanamide
CID 166552033
7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 155723183
1-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)prop-2-ynyl]-3-propylurea
CID 166552088

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 138465830) is 5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cn1cc(C#CCN)c2c(N)ncnc21.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XKPGPMKSTJKEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-15-5-7(3-2-4-11)8-9(12)13-6-14-10(8)15/h5-6H,4,11H2,1H3,(H2,12,13,14).
What are the key properties of 5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 201.23 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 138465830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).