2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile

C16H16N6 — CID 169397169

IUPAC2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile
SMILESC=CCN1CCc2cc(-c3nc(N)nc(N)c3C#N)ccc21
InChIInChI=1S/C16H16N6/c1-2-6-22-7-5-10-8-11(3-4-13(10)22)14-12(9-17)15(18)21-16(19)20-14/h2-4,8H,1,5-7H2,(H4,18,19,20,21)
InChIKeyAXAGCKAPFWTDNC-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.73
Rot. Bonds3

About 2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile

2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile (PubChem CID 169397169) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile
PubChem CID169397169
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile
SMILESC=CCN1CCc2cc(-c3nc(N)nc(N)c3C#N)ccc21
InChIInChI=1S/C16H16N6/c1-2-6-22-7-5-10-8-11(3-4-13(10)22)14-12(9-17)15(18)21-16(19)20-14/h2-4,8H,1,5-7H2,(H4,18,19,20,21)
InChIKeyAXAGCKAPFWTDNC-UHFFFAOYSA-N
XLogP1.73
TPSA104.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile (CID 169397169) is 2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile is C=CCN1CCc2cc(-c3nc(N)nc(N)c3C#N)ccc21.
What is the InChIKey of 2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile?
The InChIKey is AXAGCKAPFWTDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-2-6-22-7-5-10-8-11(3-4-13(10)22)14-12(9-17)15(18)21-16(19)20-14/h2-4,8H,1,5-7H2,(H4,18,19,20,21).
What are the key properties of 2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile has a molecular weight of 292.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169397169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).