[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C20H26N4O — CID 109321826

IUPAC[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)nc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C20H26N4O/c1-14-13-17(18(25)24-11-7-8-12-24)23-19(21-14)22-16-10-6-5-9-15(16)20(2,3)4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,21,22,23)
InChIKeyQDZUWOHMJRSCHX-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.06
Rot. Bonds3

About [2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109321826) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109321826
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)nc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C20H26N4O/c1-14-13-17(18(25)24-11-7-8-12-24)23-19(21-14)22-16-10-6-5-9-15(16)20(2,3)4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,21,22,23)
InChIKeyQDZUWOHMJRSCHX-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109335464
[2-(2,6-dichloroanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321897
ethyl 2-[[4-methyl-6-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109321902
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321835
[2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321880
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325918
azepan-1-yl-[2-(2,5-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334442
1-[4-[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914896
N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321474
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331558
[2-(4-bromo-3-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321881

Frequently Asked Questions

What is the IUPAC name of [2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109321826) is [2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCCC2)nc(Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of [2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QDZUWOHMJRSCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-13-17(18(25)24-11-7-8-12-24)23-19(21-14)22-16-10-6-5-9-15(16)20(2,3)4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,21,22,23).
What are the key properties of [2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109321826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).