[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone

C23H25N5O — CID 109266112

IUPAC[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)cc1
InChIInChI=1S/C23H25N5O/c1-3-27(4-2)20-11-9-19(10-12-20)26-23-24-15-18(16-25-23)22(29)28-14-13-17-7-5-6-8-21(17)28/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,24,25,26)
InChIKeySUZOHDSCNCOBGD-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.27
Rot. Bonds6

About [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone

[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109266112) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109266112
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)cc1
InChIInChI=1S/C23H25N5O/c1-3-27(4-2)20-11-9-19(10-12-20)26-23-24-15-18(16-25-23)22(29)28-14-13-17-7-5-6-8-21(17)28/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,24,25,26)
InChIKeySUZOHDSCNCOBGD-UHFFFAOYSA-N
XLogP4.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266119
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249349
4-[2-[4-(diethylamino)anilino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254421
[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258457
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
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266278
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141370
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109266139

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone (CID 109266112) is [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone is CCN(CC)c1ccc(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)cc1.
What is the InChIKey of [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is SUZOHDSCNCOBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-3-27(4-2)20-11-9-19(10-12-20)26-23-24-15-18(16-25-23)22(29)28-14-13-17-7-5-6-8-21(17)28/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109266112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).