1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one

C14H18N4O — CID 119113051

IUPAC1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCNC1=NCCCN1
InChIInChI=1S/C14H18N4O/c19-13-10-11-4-1-2-5-12(11)18(13)9-8-17-14-15-6-3-7-16-14/h1-2,4-5H,3,6-10H2,(H2,15,16,17)
InChIKeyKPECURMJXQVKJZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.51
Rot. Bonds3

About 1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one

1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one (PubChem CID 119113051) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one
PubChem CID119113051
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCNC1=NCCCN1
InChIInChI=1S/C14H18N4O/c19-13-10-11-4-1-2-5-12(11)18(13)9-8-17-14-15-6-3-7-16-14/h1-2,4-5H,3,6-10H2,(H2,15,16,17)
InChIKeyKPECURMJXQVKJZ-UHFFFAOYSA-N
XLogP0.51
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112973
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one
CID 133482727
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110913889
3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide
CID 110730062
2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide
CID 110918218
2-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
CID 110730109
N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine
CID 19820500
1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119745257
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
CID 119745258

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one?
The IUPAC name of 1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one (CID 119113051) is 1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one?
The canonical SMILES for 1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCNC1=NCCCN1.
What is the InChIKey of 1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one?
The InChIKey is KPECURMJXQVKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-13-10-11-4-1-2-5-12(11)18(13)9-8-17-14-15-6-3-7-16-14/h1-2,4-5H,3,6-10H2,(H2,15,16,17).
What are the key properties of 1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one?
1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one has a molecular weight of 258.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-3H-indol-2-one is sourced from PubChem (CID 119113051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).