2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one

C15H16ClN5O — CID 133285141

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Nc1cc(Cl)nc(N)n1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H16ClN5O/c1-9(18-13-8-12(16)19-15(17)20-13)14(22)21-7-6-10-4-2-3-5-11(10)21/h2-5,8-9H,6-7H2,1H3,(H3,17,18,19,20)
InChIKeyHJARYWFHVDBUAS-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.10
Rot. Bonds3

About 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 133285141) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID133285141
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Nc1cc(Cl)nc(N)n1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H16ClN5O/c1-9(18-13-8-12(16)19-15(17)20-13)14(22)21-7-6-10-4-2-3-5-11(10)21/h2-5,8-9H,6-7H2,1H3,(H3,17,18,19,20)
InChIKeyHJARYWFHVDBUAS-UHFFFAOYSA-N
XLogP2.10
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one with MolForge

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Related Compounds

(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7415781
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9356889
1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 133285179
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide
CID 86861188
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233
(2R)-2-(1,3-benzodioxol-5-ylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7509416
3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile
CID 133285067
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 37303828
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348139

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 133285141) is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(Nc1cc(Cl)nc(N)n1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is HJARYWFHVDBUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-9(18-13-8-12(16)19-15(17)20-13)14(22)21-7-6-10-4-2-3-5-11(10)21/h2-5,8-9H,6-7H2,1H3,(H3,17,18,19,20).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 317.78 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 133285141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).