5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine

C16H18N4O2 — CID 71108066

IUPAC5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine
SMILESCN1CCc2cc(-c3cnc(N)nc3OC3COC3)ccc21
InChIInChI=1S/C16H18N4O2/c1-20-5-4-11-6-10(2-3-14(11)20)13-7-18-16(17)19-15(13)22-12-8-21-9-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H2,17,18,19)
InChIKeyVVJIGIGQDCHPTF-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.50
Rot. Bonds3

About 5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine

5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine (PubChem CID 71108066) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine
PubChem CID71108066
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine
SMILESCN1CCc2cc(-c3cnc(N)nc3OC3COC3)ccc21
InChIInChI=1S/C16H18N4O2/c1-20-5-4-11-6-10(2-3-14(11)20)13-7-18-16(17)19-15(13)22-12-8-21-9-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H2,17,18,19)
InChIKeyVVJIGIGQDCHPTF-UHFFFAOYSA-N
XLogP1.50
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine (CID 71108066) is 5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine is CN1CCc2cc(-c3cnc(N)nc3OC3COC3)ccc21.
What is the InChIKey of 5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine?
The InChIKey is VVJIGIGQDCHPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20-5-4-11-6-10(2-3-14(11)20)13-7-18-16(17)19-15(13)22-12-8-21-9-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H2,17,18,19).
What are the key properties of 5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine?
5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine has a molecular weight of 298.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2,3-dihydroindol-5-yl)-4-(oxetan-3-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 71108066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).