[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C18H22N4O — CID 109339981

IUPAC[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCCCNc1cc(C(=O)N2c3ccccc3CC2C)ncn1
InChIInChI=1S/C18H22N4O/c1-3-4-9-19-17-11-15(20-12-21-17)18(23)22-13(2)10-14-7-5-6-8-16(14)22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyBCEMPBAANYIPIL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.28
Rot. Bonds5

About [6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109339981) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109339981
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCCCNc1cc(C(=O)N2c3ccccc3CC2C)ncn1
InChIInChI=1S/C18H22N4O/c1-3-4-9-19-17-11-15(20-12-21-17)18(23)22-13(2)10-14-7-5-6-8-16(14)22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyBCEMPBAANYIPIL-UHFFFAOYSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109351469
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109356866
(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124877322
[6-(azepan-1-yl)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109355575
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(pentylamino)pyrimidin-4-yl]methanone
CID 109353033
[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109277439
[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217477
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109203595
(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109311011
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one
CID 136655090

Frequently Asked Questions

What is the IUPAC name of [6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109339981) is [6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CCCCNc1cc(C(=O)N2c3ccccc3CC2C)ncn1.
What is the InChIKey of [6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is BCEMPBAANYIPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-4-9-19-17-11-15(20-12-21-17)18(23)22-13(2)10-14-7-5-6-8-16(14)22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of [6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109339981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).