(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

C16H17N3O2 — CID 124877322

IUPAC(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCCOc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ncn1
InChIInChI=1S/C16H17N3O2/c1-3-21-15-9-13(17-10-18-15)16(20)19-11(2)8-12-6-4-5-7-14(12)19/h4-7,9-11H,3,8H2,1-2H3/t11-/m0/s1
InChIKeyRRTUVJKJBXPNJN-NSHDSACASA-N
MW283.33 g/mol
LogP2.47
Rot. Bonds3

About (6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 124877322) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID124877322
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCCOc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ncn1
InChIInChI=1S/C16H17N3O2/c1-3-21-15-9-13(17-10-18-15)16(20)19-11(2)8-12-6-4-5-7-14(12)19/h4-7,9-11H,3,8H2,1-2H3/t11-/m0/s1
InChIKeyRRTUVJKJBXPNJN-NSHDSACASA-N
XLogP2.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109339981
[6-(azepan-1-yl)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109355575
[6-(2-ethoxyanilino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109129448
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one
CID 136655090
[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109351469
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109356866
[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109203595
(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone
CID 138012731
N-ethyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109092353
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178

Frequently Asked Questions

What is the IUPAC name of (6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 124877322) is (6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is CCOc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ncn1.
What is the InChIKey of (6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is RRTUVJKJBXPNJN-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-21-15-9-13(17-10-18-15)16(20)19-11(2)8-12-6-4-5-7-14(12)19/h4-7,9-11H,3,8H2,1-2H3/t11-/m0/s1.
What are the key properties of (6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 283.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 124877322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).