5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one

C15H16N4O — CID 118033824

IUPAC5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
SMILESCCCNc1cc(-c2ccc3c(c2)CC(=O)N3)ncn1
InChIInChI=1S/C15H16N4O/c1-2-5-16-14-8-13(17-9-18-14)10-3-4-12-11(6-10)7-15(20)19-12/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyYHFXWSJQRUWAAM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.46
Rot. Bonds4

About 5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one

5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 118033824) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID118033824
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
SMILESCCCNc1cc(-c2ccc3c(c2)CC(=O)N3)ncn1
InChIInChI=1S/C15H16N4O/c1-2-5-16-14-8-13(17-9-18-14)10-3-4-12-11(6-10)7-15(20)19-12/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyYHFXWSJQRUWAAM-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343622
2-oxo-N-[6-(propylamino)-3-pyridinyl]-1,3-dihydroindole-5-sulfonamide
CID 113009145
1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one
CID 118033881
5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298804
4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855501
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine
CID 116506983
N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 110351108
5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one
CID 116832496
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963
5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 82293405

Frequently Asked Questions

What is the IUPAC name of 5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one (CID 118033824) is 5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one is CCCNc1cc(-c2ccc3c(c2)CC(=O)N3)ncn1.
What is the InChIKey of 5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is YHFXWSJQRUWAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-5-16-14-8-13(17-9-18-14)10-3-4-12-11(6-10)7-15(20)19-12/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one?
5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 118033824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).