(3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole

C15H17N3 — CID 118411289

IUPAC(3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole
SMILESC[C@H]1CNc2ccc(CCc3cncnc3)cc21
InChIInChI=1S/C15H17N3/c1-11-7-18-15-5-4-12(6-14(11)15)2-3-13-8-16-10-17-9-13/h4-6,8-11,18H,2-3,7H2,1H3/t11-/m0/s1
InChIKeySKAKOZRECCXARS-NSHDSACASA-N
MW239.32 g/mol
LogP2.79
Rot. Bonds3

About (3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole

(3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole (PubChem CID 118411289) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole
PubChem CID118411289
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name(3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole
SMILESC[C@H]1CNc2ccc(CCc3cncnc3)cc21
InChIInChI=1S/C15H17N3/c1-11-7-18-15-5-4-12(6-14(11)15)2-3-13-8-16-10-17-9-13/h4-6,8-11,18H,2-3,7H2,1H3/t11-/m0/s1
InChIKeySKAKOZRECCXARS-NSHDSACASA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole?
The IUPAC name of (3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole (CID 118411289) is (3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for (3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for (3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole is C[C@H]1CNc2ccc(CCc3cncnc3)cc21.
What is the InChIKey of (3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole?
The InChIKey is SKAKOZRECCXARS-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3/c1-11-7-18-15-5-4-12(6-14(11)15)2-3-13-8-16-10-17-9-13/h4-6,8-11,18H,2-3,7H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole?
(3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 118411289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).