[2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C17H19BrN4O — CID 109321880

IUPAC[2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)nc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C17H19BrN4O/c1-11-9-13(18)5-6-14(11)20-17-19-12(2)10-15(21-17)16(23)22-7-3-4-8-22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20,21)
InChIKeyJKWFYMJHFFRVDD-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.84
Rot. Bonds3

About [2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109321880) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is [2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109321880
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name[2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)nc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C17H19BrN4O/c1-11-9-13(18)5-6-14(11)20-17-19-12(2)10-15(21-17)16(23)22-7-3-4-8-22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20,21)
InChIKeyJKWFYMJHFFRVDD-UHFFFAOYSA-N
XLogP3.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321835
[2-(4-bromo-3-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321881
azepan-1-yl-[2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidin-4-yl]methanone
CID 109334514
azepan-1-yl-[2-(2,5-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334442
[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321826
[2-(2,6-dichloroanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321897
[4-(4-bromo-2-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203773
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334053
[2-(4-bromoanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325954
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325918
2-(4-bromo-2-methylanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546249
azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone
CID 114220533

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109321880) is [2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCCC2)nc(Nc2ccc(Br)cc2C)n1.
What is the InChIKey of [2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JKWFYMJHFFRVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-11-9-13(18)5-6-14(11)20-17-19-12(2)10-15(21-17)16(23)22-7-3-4-8-22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 375.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109321880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).