(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone

C19H16N4O — CID 109265177

IUPAC(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCc2ccccc21
InChIInChI=1S/C19H16N4O/c24-18(23-11-10-14-6-4-5-9-17(14)23)15-12-20-19(21-13-15)22-16-7-2-1-3-8-16/h1-9,12-13H,10-11H2,(H,20,21,22)
InChIKeyVUCJPWACOZCIJR-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.42
Rot. Bonds3

About (2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone

(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109265177) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID109265177
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCc2ccccc21
InChIInChI=1S/C19H16N4O/c24-18(23-11-10-14-6-4-5-9-17(14)23)15-12-20-19(21-13-15)22-16-7-2-1-3-8-16/h1-9,12-13H,10-11H2,(H,20,21,22)
InChIKeyVUCJPWACOZCIJR-UHFFFAOYSA-N
XLogP3.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266119
2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
CID 109265381
2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
CID 109266071
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266122
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109266139
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266278
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone (CID 109265177) is (2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone is O=C(c1cnc(Nc2ccccc2)nc1)N1CCc2ccccc21.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is VUCJPWACOZCIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-18(23-11-10-14-6-4-5-9-17(14)23)15-12-20-19(21-13-15)22-16-7-2-1-3-8-16/h1-9,12-13H,10-11H2,(H,20,21,22).
What are the key properties of (2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone?
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109265177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).