4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine

C16H18N4O — CID 129086091

IUPAC4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine
SMILESc1ccc2c(c1)CCN2c1ccnc(N[C@@H]2CCOC2)n1
InChIInChI=1S/C16H18N4O/c1-2-4-14-12(3-1)6-9-20(14)15-5-8-17-16(19-15)18-13-7-10-21-11-13/h1-5,8,13H,6-7,9-11H2,(H,17,18,19)/t13-/m1/s1
InChIKeyGGYMTQQHZDLLOE-CYBMUJFWSA-N
MW282.35 g/mol
LogP2.37
Rot. Bonds3

About 4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine (PubChem CID 129086091) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine
PubChem CID129086091
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine
SMILESc1ccc2c(c1)CCN2c1ccnc(N[C@@H]2CCOC2)n1
InChIInChI=1S/C16H18N4O/c1-2-4-14-12(3-1)6-9-20(14)15-5-8-17-16(19-15)18-13-7-10-21-11-13/h1-5,8,13H,6-7,9-11H2,(H,17,18,19)/t13-/m1/s1
InChIKeyGGYMTQQHZDLLOE-CYBMUJFWSA-N
XLogP2.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine (CID 129086091) is 4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine is c1ccc2c(c1)CCN2c1ccnc(N[C@@H]2CCOC2)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is GGYMTQQHZDLLOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-4-14-12(3-1)6-9-20(14)15-5-8-17-16(19-15)18-13-7-10-21-11-13/h1-5,8,13H,6-7,9-11H2,(H,17,18,19)/t13-/m1/s1.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 129086091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).